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
-1.5446 -0.9327 2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3094 -0.4423 1.0117 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4046 0.1988 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6296 0.3391 1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7042 0.9676 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5892 1.4792 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3810 1.3494 -1.5178 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3035 0.7133 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0141 -0.6503 0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0573 0.1744 1.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2935 -0.0774 0.5383 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6579 0.1257 -0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8107 0.5964 -1.5544 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9842 -0.1774 -1.2634 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3214 0.0250 -2.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0060 -0.7348 -0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6407 -1.4844 2.6798 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6753 -0.0741 3.0578 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4482 -1.6140 2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7087 -0.0675 2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6379 1.0569 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4235 1.9794 -1.3834 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2538 1.7449 -2.5336 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3983 0.6547 -1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0183 -0.4693 -0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3306 -1.7253 0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8269 1.2627 1.0834 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1028 -0.1091 2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2909 -0.1954 -2.8965 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5897 0.4304 -3.2084 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6529 -1.4086 -0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 0.1374 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5576 -1.2719 0.5165 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