N-Methylhomoveratrylamine

C₁₁H₁₇NO₂CAS 3490-06-0195.26 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₁₁H₁₇NO₂
Molar mass: 195.26 g/mol
Exact mass: 195.1259 Da
Boiling point: 99–112 °C (at NaN Torr)
logP: 1.47Crippen estimate
Polar surface area: 30.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed59.8% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage59.8% of notifiers
H319 Causes serious eye irritation40.2% of notifiers
H335 May cause respiratory irritation99.4% of notifiers

Aggregated from 174 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3490-06-0

SMILES

CNCCc1ccc(OC)c(OC)c1

InChIKey

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all

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-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

Work with N-Methylhomoveratrylamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dimethoxyphenethylamine120-20-759 % similar 2-(3,4-Dimethoxyphenyl)ethanol7417-21-259 % similar Veratrylamine5763-61-153 % similar Veratryl chloride7306-46-953 % similar Veratrole alcohol93-03-853 % similar 3-(3,4-Dimethoxyphenyl)propionic acid2107-70-250 % similar 3,4-Dimethoxyphenethyl isothiocyanate21714-25-050 % similar Methyldopamine hydrochloride62-32-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,2'-((Phenylmethyl)imino)bisethanol101-32-6 N,N-Bis(2-hydroxyethyl)-p-toluidine3077-12-1 2,2'-((3-Methylphenyl)imino)bisethanol91-99-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook