(3S)-(+)-1-Benzyl-3-aminopyrrolidine

C₁₁H₁₆N₂CAS 114715-38-7176.26 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₆N₂
Molar mass: 176.26 g/mol
Exact mass: 176.1313 Da
logP: 1.22Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

114715-38-7

SMILES

C1CN(C[C@H]1N)CC2=CC=CC=C2

InChIKey

HBVNLKQGRZPGRP-NSHDSACASA-N

InChI

InChI=1S/C11H16N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,12H2/t11-/m0/s1

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Names and synonyms

1 names

(S)-(+)-1-Benzyl-3-aminopyrrolidine

Work with (3S)-(+)-1-Benzyl-3-aminopyrrolidine

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

(3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-181 % similar 4-Amino-1-benzylpiperidine50541-93-079 % similar (3S)-1-(Phenylmethyl)-3-piperidinamine dihydrochloride307532-02-174 % similar 4-Amino-1-benzylpiperidine dihydrochloride1205-72-772 % similar (3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-459 % similar (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-859 % similar 1-(Phenylmethyl)-3-pyrrolidinol775-15-559 % similar 1-Benzylpyrrolidine-3-carbonitrile10603-52-856 % similar

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

Same formula

(3R)-1-Benzylpyrrolidin-3-amine114715-39-8 1-Benzylpiperazine2759-28-6 1-(2-Methylphenyl)piperazine39512-51-1 1-(4-Methylphenyl)piperazine39593-08-3 1-(3-Methylphenyl)piperazine41186-03-2 1-Methyl-3-phenylpiperazine5271-27-2 (2S)-N-Phenyl-2-pyrrolidinemethanamine64030-44-0

Elsewhere

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