2,2-Diphenylpropylamine hydrochloride

C₁₅H₁₈ClNCAS 40691-66-5247.77 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₁₅H₁₈ClN
Molar mass: 247.77 g/mol
Exact mass: 247.1128 Da
Melting point: 258–260 °C
logP: 3.37Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers
H400 Very toxic to aquatic life16.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

40691-66-5

SMILES

CC(CN)(c1ccccc1)c1ccccc1.Cl

InChIKey

AASCJSPDUDWGGQ-UHFFFAOYSA-N

InChI

InChI=1S/C15H17N.ClH/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11H,12,16H2,1H3;1H

Weigh it out

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

Names and synonyms

3 names

Benzeneethanamine, β-methyl-β-phenyl-, hydrochloride (1:1)
Benzeneethanamine, β-methyl-β-phenyl-, hydrochloride
2,2-Diphenylpropan-1-amine hydrochloride

Work with 2,2-Diphenylpropylamine hydrochloride

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

1,1,3-Trimethyl-3-phenylindane3910-35-844 % similar Phentermine hydrochloride1197-21-341 % similar Benzylammonium chloride3287-99-840 % similar Cumylamine585-32-040 % similar 2,3-Dimethyl-2,3-diphenylbutane1889-67-439 % similar Dimethyldiphenylmethane778-22-339 % similar tert-Butylbenzene98-06-639 % similar 2-Phenylethylamine hydrochloride156-28-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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