3,4-Dimethylphenethylamine

C10H15NCAS 17283-14-6149.24 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C10H15N
Molar mass
149.24 g/mol
Exact mass
149.1204 Da
logP
1.80Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
17283-14-6
SMILES
CC1=C(C=C(C=C1)CCN)C
InChIKey
IQXUVSNUSQIQCJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N/c1-8-3-4-10(5-6-11)7-9(8)2/h3-4,7H,5-6,11H2,1-2H3

Weigh it out

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

Work with 3,4-Dimethylphenethylamine

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-Dimethylbenzenemethanamine102-48-763 % similar 4-Methylphenethylamine3261-62-956 % similar 3,4-Dimethylbenzyl chloride102-46-552 % similar 3,4-Dimethylbenzyl alcohol6966-10-552 % similar 3,4-Dimethoxyphenethylamine120-20-748 % similar 3,4-Dichlorophenethylamine21581-45-348 % similar Dopamine51-61-648 % similar 2-(4-Aminophenyl)ethylamine13472-00-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropylbenzylamine102-97-6 4-Butylaniline104-13-2 N-Butylaniline1126-78-9 Benzenebutanamine13214-66-9 (alphaS)-N,N,alpha-Trimethylbenzenemethanamine17279-31-1 (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-9 2-Amino-p-cymene2051-53-8 1-Methyl-3-phenylpropylamine22148-77-2

Elsewhere

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