2-(3-Chlorophenyl)pyrrolidine

C10H12ClNCAS 298690-74-1181.66 g/mol

Open in Covalent MOL file
ClHN
Aryl halideSecondary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 (R)-2-(3-Fluorophenyl)pyrrolidine920274-03-965 % similar (S)-2-(3-Fluorophenyl)pyrrolidine920274-04-065 % similar 2-Phenylpyrrolidine1006-64-061 % similar 2-(3-Methoxyphenyl)pyrrolidine103861-77-458 % similar 2-Phenylpiperidine3466-80-655 % similar 2-(Furan-2-yl)pyrrolidine90086-89-851 % similar (±)-Nornicotine5746-86-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(2-Chlorophenyl)pyrrolidine129540-21-2 2-(4-Chlorophenyl)pyrrolidine38944-14-8

Elsewhere

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