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
1.5729 1.9527 -1.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3832 0.5960 -0.5501 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5163 -0.1687 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1294 -0.9411 -1.1471 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2453 -1.7169 -0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7398 -1.7046 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1495 -0.9442 1.4119 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0263 -0.1706 1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0369 0.0684 -0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6901 0.8056 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0242 0.3840 0.7686 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9910 0.4466 -0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6686 0.9191 -1.3151 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3679 0.0121 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2630 0.0964 -0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7783 -0.5481 1.2879 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2433 2.0395 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0149 2.6827 -0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6278 2.2640 -1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7423 -0.9524 -2.1624 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6952 -2.2988 -1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6079 -2.3105 0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5575 -0.9527 2.4122 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5347 0.4377 1.8398 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4721 0.1700 -1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0915 -1.0248 -0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7281 1.8767 0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0943 0.7394 1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0075 0.4993 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2677 -0.2262 -0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5076 0.1927 2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8688 -0.7535 1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1857 -1.4701 1.5467 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