Monomers
2-[Methyl(phenyl)amino]ethyl 2-methylprop-2-enoate
Identifiers
IUPAC name
2-(N-methylanilino)ethyl 2-methylprop-2-enoate
InchI
InChI=1S/C13H17NO2/c1-11(2)13(15)16-10-9-14(3)12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3
InchI Key
MBOCINIPIHLPHH-UHFFFAOYSA-N
SMILES
CN(c1ccccc1)CCOC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OCCN(C)C1=CC=CC=C1
Isomeric SMILES
CC(=C)C(=O)OCCN(C)C1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C13H17NO2
Heavy Atom Count
16
Molecular Weight
219.284
Exact Molecular Weight
219.1259
Valence Electrons
86
Radical Electrons
0
tPSA
29.54
MolLogP
2.2421
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
33 33 0 0 0 0 0 0 0 0999 V2000
0.0735 -0.4980 -0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9375 -0.1377 0.0421 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2112 0.2526 -0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1770 -0.7429 -0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4386 -0.4305 -1.1031 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6772 0.9030 -1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7519 1.8960 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4998 1.5748 -0.7593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5924 -0.1964 1.4429 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4012 0.8216 1.8724 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6403 0.7748 1.2396 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4605 -0.3652 1.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9882 -1.3185 1.9862 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7537 -0.4267 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2525 0.5622 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5567 -1.6608 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5502 -1.4732 -0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8116 0.3312 -0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3748 -0.6533 -1.9507 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9307 -1.7711 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1854 -1.2028 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6743 1.1279 -1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0135 2.9190 -1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7280 2.3173 -0.6138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3299 -1.2342 1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5432 0.0224 2.0047 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0471 1.8306 1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4758 0.7654 2.9862 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2066 0.5027 -0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6959 1.5066 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9435 -2.4931 0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4892 -1.6199 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8131 -1.8838 1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
2 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 2 0
12 14 1 0
14 15 2 3
14 16 1 0
8 3 1 0
1 17 1 0
1 18 1 0
1 19 1 0
4 20 1 0
5 21 1 0
6 22 1 0
7 23 1 0
8 24 1 0
9 25 1 0
9 26 1 0
10 27 1 0
10 28 1 0
15 29 1 0
15 30 1 0
16 31 1 0
16 32 1 0
16 33 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers