(αS)-α-(2-Methylpropyl)-2-(1-piperidinyl)benzenemethanamine

C₁₆H₂₆N₂CAS 147769-93-5246.40 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₆H₂₆N₂
Molar mass: 246.40 g/mol
Exact mass: 246.2096 Da
logP: 3.72Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

147769-93-5

SMILES

CC(C)C[C@H](N)c1ccccc1N1CCCCC1

InChIKey

CARYLRSDNWJCJV-HNNXBMFYSA-N

InChI

InChI=1S/C16H26N2/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3/t15-/m0/s1

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

Names and synonyms

6 names

Benzenemethanamine, α-(2-methylpropyl)-2-(1-piperidinyl)-, (αS)-
Benzenemethanamine, α-(2-methylpropyl)-2-(1-piperidinyl)-, (S)-
(S)-3-Methyl-1-(2-piperidinophenyl)-1-butylamine
(1S)-3-Methyl-1-[2-(piperidin-1-yl)phenyl]butan-1-amine
(S)-3-Methyl-1-(2-(piperidin-1-yl)phenyl)butan-1-amine
(s)-3-Methyl-1-[2-(1-piperidinyl)phenyl]butylamine

Work with (αS)-α-(2-Methylpropyl)-2-(1-piperidinyl)benzenemethanamine

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

L-Glutamic acid, N-acetyl-, compd. with (αS)-α-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1)219921-94-556 % similar 2-(1-Piperidinyl)benzonitrile72752-52-441 % similar Repaglinide135062-02-139 % similar 1,2,3,4-Tetrahydro-1-naphthylamine2217-40-533 % similar (-)-1,2,3,4-Tetrahydro-1-naphthylamine23357-46-233 % similar (+)-1,2,3,4-Tetrahydro-1-naphthylamine23357-52-033 % similar (R)-Chroman-4-amine210488-55-432 % similar 1-Phenylpyrrolidine4096-21-332 % similar

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

Elsewhere

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