chempirical

2-(2-Chlorophenyl)pyrrolidine

C10H12ClNCAS 129540-21-2181.66 g/mol

Open in Covalent MOL file
NHCl
Aryl halideSecondary amine

Properties

Molecular formula
C10H12ClN
Molar mass
181.66 g/mol
Exact mass
181.0658 Da
logP
2.76Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
129540-21-2
SMILES
C1CC(NC1)C2=CC=CC=C2Cl
InChIKey
AFXDPDJNNABZGP-UHFFFAOYSA-N
InChI
InChI=1S/C10H12ClN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2

Weigh it out

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

Work with 2-(2-Chlorophenyl)pyrrolidine

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

2-(Naphthalen-1-yl)pyrrolidine121193-91-762 % similar 2-(2-Bromophenyl)pyrrolidine129540-24-561 % similar 2-(2-Methylphenyl)pyrrolidine129540-23-459 % similar 2-Phenylpyrrolidine1006-64-053 % similar 2-(2-Pyrrolidinyl)pyridine77790-61-550 % similar 2-(3-Fluorophenyl)pyrrolidine298690-72-949 % similar (2S)-2-(3-Fluorophenyl)pyrrolidine920274-04-049 % similar 2-Phenylpiperidine3466-80-647 % similar

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

Same formula

2-(3-Chlorophenyl)pyrrolidine298690-74-1

Elsewhere

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