2-(2-Chlorophenyl)pyrrolidine

C₁₀H₁₂ClNCAS 129540-21-2181.66 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
logP: 2.76Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-(2-Fluorophenyl)pyrrolidine72216-04-759 % similar 2-Phenylpyrrolidine1006-64-053 % similar 2-(2-Pyrrolidinyl)pyridine77790-61-550 % similar 2-(3-Fluorophenyl)pyrrolidine298690-72-949 % similar (R)-2-(3-Fluorophenyl)pyrrolidine920274-03-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(3-Chlorophenyl)pyrrolidine298690-74-1 2-(4-Chlorophenyl)pyrrolidine38944-14-8

Elsewhere

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