3-(Methylamino)-1-phenyl-1-propanol

C₁₀H₁₅NOCAS 42142-52-9165.24 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₁₀H₁₅NO
Molar mass: 165.24 g/mol
Exact mass: 165.1154 Da
Boiling point: 109 °C (at 2 Torr)
logP: 1.33Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed54.3% of notifiers
H314 Causes severe skin burns and eye damage40.2% of notifiers

Aggregated from 92 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

42142-52-9

SMILES

CNCCC(O)c1ccccc1

InChIKey

XXSDCGNHLFVSET-UHFFFAOYSA-N

InChI

InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all

Benzenemethanol, α-[2-(methylamino)ethyl]-
Benzyl alcohol, α-[2-(methylamino)ethyl]-
α-[2-(Methylamino)ethyl]benzenemethanol
N-Methyl-3-phenyl-3-hydroxypropylamine
3-Methylamino-1-phenylpropanol
3-Hydroxy-N-methyl-3-phenylpropylamine
(±)-N-Methyl-3-hydroxy-3-phenylpropylamine
N-Methyl-3-hydroxy-3-phenylpropylamine
Methyl(3-hydroxy-3-phenylpropyl)amine
N-(3-Hydroxy-3-phenylpropyl)-N-methylamine
N-Methyl-N-(3-hydroxy-3-phenylpropyl)amine
N-(3-Hydroxy-3-phenylpropyl)methylamine
3-N-Methylamino-1-phenyl-1-propanol

Work with 3-(Methylamino)-1-phenyl-1-propanol

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

N-Methyl-γ-phenylbenzenepropanamine28075-29-863 % similar (αS)-α-[2-(Methylamino)ethyl]-2-thiophenemethanol116539-55-056 % similar 1-Phenyl-1-pentanol583-03-955 % similar (1R)-3-Chloro-1-phenyl-propan-1-ol100306-33-053 % similar (-)-3-Chloro-1-phenyl-1-propanol100306-34-153 % similar 3-Chloro-1-phenyl-1-propanol18776-12-053 % similar (+)-1-Phenyl-1-propanol1565-74-852 % similar (S)-1-Phenylpropanol613-87-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Benzyl-N-methylethanolamine101-98-4 3-[1-(Dimethylamino)ethyl]phenol105601-04-5 2-Amino-4-tert-butylphenol1199-46-8 (S)-3-[1-(Dimethylamino)ethyl]phenol139306-10-8 N-Ethyl-4-methoxybenzylamine22993-76-6 N-Methyl-N-(2-hydroxyethyl)-p-toluidine2842-44-6 Ephedrine299-42-3 Perillartine30950-27-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook