chempirical

1-Benzyl-3-aminopyrrolidine

C11H16N2CAS 18471-40-4176.26 g/mol

Open in Covalent MOL file
NH2N
Primary amineTertiary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
18471-40-4
SMILES
C1CN(CC1N)CC2=CC=CC=C2
InChIKey
HBVNLKQGRZPGRP-UHFFFAOYSA-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

Weigh it out

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

Work with 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

(S)-3-Amino-1-benzylpyrrolidine dihydrochloride131852-54-590 % similar (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 1-(Phenylmethyl)-3-pyrrolidinol775-15-559 % similar 1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-154 % similar 1-Benzyl-4-hydroxypiperidine4727-72-453 % similar

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

Same formula

(3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-7 (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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