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
1.3880 2.1035 -2.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1991 1.1824 -0.8947 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3400 0.6264 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0894 1.3815 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2267 0.8703 1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5817 -0.4214 0.9075 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8427 -1.1820 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7140 -0.6597 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1656 0.9337 -0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3319 -0.0303 0.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7168 -0.1479 0.8649 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6683 -0.6342 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2996 -1.0505 -1.1141 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0946 -0.7210 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9411 -1.2131 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6425 -0.2370 1.6353 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7368 1.7538 -2.8375 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1422 3.1273 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4400 2.0875 -2.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8014 2.3956 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7593 1.5008 1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4531 -0.8342 1.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1301 -2.2027 -0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1473 -1.2653 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6854 1.8824 -0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6645 0.4879 -1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1830 0.3218 1.5321 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0903 -1.0352 0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9884 -1.2638 -0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6269 -1.5783 -1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4037 0.5522 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1708 -1.0196 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8649 0.2941 2.2313 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