2-(3-Chlorophenyl)pyrrolidine

C₁₀H₁₂ClNCAS 298690-74-1181.66 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₁₀H₁₂ClN
Molar mass: 181.66 g/mol
Exact mass: 181.0658 Da
Boiling point: 138–141 °C (at 16 Torr)
logP: 2.76Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

298690-74-1

SMILES

Clc1cccc(C2CCCN2)c1

InChIKey

SRTPGDGQKPCDMC-UHFFFAOYSA-N

InChI

InChI=1S/C10H12ClN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2

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Names and synonyms

1 names

Pyrrolidine, 2-(3-chlorophenyl)-

Work with 2-(3-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-(3-Fluorophenyl)pyrrolidine298690-72-965 % similar (2S)-2-(3-Fluorophenyl)pyrrolidine920274-04-065 % similar 2-Phenylpyrrolidine1006-64-061 % similar 2-(3-Methoxyphenyl)pyrrolidine103861-77-458 % similar 2-Phenylpiperidine3466-80-655 % similar (±)-Nornicotine5746-86-151 % similar 2-(3-Furanyl)pyrrolidine383127-25-150 % similar 4-(Pyrrolidin-2-yl)pyridine128562-25-449 % similar

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

Same formula

2-(2-Chlorophenyl)pyrrolidine129540-21-2

Elsewhere

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