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Molecule
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
Identifiers
CAS Registry Number
3490-06-0
SMILES
CNCCc1ccc(OC)c(OC)c1
InChI Key
HNJWKRMESUMDQE-UHFFFAOYSA-N
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
Names and Synonyms
- N-Methylhomoveratrylamine Synonym
- Benzeneethanamine, 3,4-dimethoxy-N-methyl- Synonym
- Phenethylamine, 3,4-dimethoxy-N-methyl- Synonym
- 3,4-Dimethoxy-N-methylbenzeneethanamine Synonym
- N-Methyl-3,4-dimethoxy-β-phenethylamine Synonym
- N-Methylhomoveratrylamine Synonym
- N-Methyl-3,4-dimethoxy-β-phenylethylamine Synonym
- 3,4-Dimethoxy-N-methylphenethylamine Synonym
- 3,4-Dimethoxy-β-phenethylmethylamine Synonym
- N-Methyl-3,4-dimethoxyphenethylamine Synonym
- 3,4-Dimethoxy-N-methylphenylethylamine Synonym
- N-(3,4-Dimethoxyphenethyl)-N-methylamine Synonym
- N-Methyl-2-(3,4-dimethoxyphenyl)ethylamine Synonym
- 2-(3,4-Dimethoxyphenyl)-N-methylethylamine Synonym
- N-Methyl-3,4-dimethoxybenzeneethanamine Synonym
- [2-(3,4-Dimethoxyphenyl)ethyl]methylamine Synonym
- Methyl[2-(3,4-dimethoxyphenyl)ethyl]amine Synonym
- NSC 187772 Synonym
- N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-methylamine Synonym
- 2-(3,4-Dimethoxyphenyl)-N-methylethanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.26 g/mol | CAS Common Chemistry |
| 195.26199999999997 g/mol | RDKit | |
| 195.262 g/mol | RDKit | |
| 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 195.125928784 g/mol | RDKit |
| Boiling Point | 99.0-112.0 °C @ 0.075-0.120 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 195.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H17NO2.
