Back to Search
N-Methylhomoveratrylamine
CAS: 3490-06-0 | C11H17NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3490-06-0
Molecular Formula:
C11H17NO2
Molecular Mass:
195.26 g/mol
Names and Synonyms:
N-Methylhomoveratrylamine
Benzeneethanamine, 3,4-dimethoxy-N-methyl-
Phenethylamine, 3,4-dimethoxy-N-methyl-
3,4-Dimethoxy-N-methylbenzeneethanamine
N-Methyl-3,4-dimethoxy-β-phenethylamine
N-Methylhomoveratrylamine
N-Methyl-3,4-dimethoxy-β-phenylethylamine
3,4-Dimethoxy-N-methylphenethylamine
3,4-Dimethoxy-β-phenethylmethylamine
N-Methyl-3,4-dimethoxyphenethylamine
3,4-Dimethoxy-N-methylphenylethylamine
N-(3,4-Dimethoxyphenethyl)-N-methylamine
N-Methyl-2-(3,4-dimethoxyphenyl)ethylamine
2-(3,4-Dimethoxyphenyl)-N-methylethylamine
N-Methyl-3,4-dimethoxybenzeneethanamine
[2-(3,4-Dimethoxyphenyl)ethyl]methylamine
Methyl[2-(3,4-dimethoxyphenyl)ethyl]amine
NSC 187772
N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-methylamine
2-(3,4-Dimethoxyphenyl)-N-methylethanamine
Identifiers:
SMILES:
CNCCc1ccc(OC)c(OC)c1
InChI:
InChI=1S/C11H17NO2/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3/h4-5,8,12H,6-7H2,1-3H3
Key Properties
Boiling Point
99.0-112.0 °C @ Press: 0.075-0.120 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.26 g/mol | CAS Common Chemistry |
| 195.26199999999997 g/mol | RDKit | |
| 195.125928784 g/mol | RDKit | |
| Boiling Point | 99.0-112.0 °C @ Press: 0.075-0.120 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1OC)CCNC)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H17NO2/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3/h4-5,8,12H,6-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HNJWKRMESUMDQE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methylhomoveratrylamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 30.49 Ų | RDKit |
| LogP | 1.4657 | RDKit |
| Molar Refractivity | 57.17670000000004 | RDKit |
