4-Methylphenethylamine

C₉H₁₃NCAS 3261-62-9135.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₃N
Molar mass: 135.21 g/mol
Exact mass: 135.1048 Da
Boiling point: 214 °C
logP: 1.50Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation93.3% of notifiers
H319 Causes serious eye irritation93.3% of notifiers
H335 May cause respiratory irritation93.3% of notifiers

Aggregated from 45 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3261-62-9

SMILES

Cc1ccc(CCN)cc1

InChIKey

VKJXAQYPOTYDLO-UHFFFAOYSA-N

InChI

InChI=1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all

Benzeneethanamine, 4-methyl-
Phenethylamine, p-methyl-
4-Methylbenzeneethanamine
p-Methylphenethylamine
p-Methyl-β-phenylethylamine
2-(p-Tolyl)ethylamine
p-Methyl-2-phenylethylamine
2-(4-Methylphenyl)ethylamine
NSC 30278
2-(4-Tolyl)ethylamine
2-(p-Tolyl)ethanamine
2-(4-Methylphenyl)ethanamine
4-Methylphenylethylamine
2-(4-Methylphenyl)ethan-1-amine

Work with 4-Methylphenethylamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Bis(4-methylphenyl)ethane538-39-665 % similar 4-Methylbenzylamine104-84-761 % similar 3,4-Dimethylphenethylamine17283-14-656 % similar 2-(4-Aminophenyl)ethylamine13472-00-954 % similar Benzeneethanamine64-04-052 % similar 2-(4-Chlorophenyl)ethylamine156-41-252 % similar 4-Fluorophenethylamine1583-88-652 % similar Tyramine51-67-252 % similar

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

Same formula

N-Ethyl-m-toluidine102-27-2 3,4-Dimethylbenzenemethanamine102-48-7 Dimethylbenzylamine103-83-3 Dimethyl-m-toluidine121-72-2 2,4,5-Trimethylaniline137-17-7 Ethylbenzylamine14321-27-8 (2S)-2-Phenylpropan-1-amine17596-79-1 2-Propylaniline1821-39-2

Elsewhere

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