2-(4-Chlorophenyl)pyrrolidine

C10H12ClNCAS 38944-14-8181.66 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

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
38944-14-8
SMILES
C1CC(NC1)C2=CC=C(C=C2)Cl
InChIKey
CIHHGGKKRPPWSU-UHFFFAOYSA-N
InChI
InChI=1S/C10H12ClN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2

Weigh it out

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

Work with 2-(4-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-Phenylpyrrolidine1006-64-062 % similar (R)-2-(4-Fluorophenyl)pyrrolidine298690-89-861 % similar (S)-2-(4-Fluorophenyl)pyrrolidine298690-90-161 % similar 2-(4-Bromophenyl)pyrrolidine383127-22-861 % similar 2-(4-Fluorophenyl)pyrrolidine72216-06-961 % similar 4-(Pyrrolidin-2-yl)pyridine128562-25-458 % similar 2-[4-(Trifluoromethyl)phenyl]pyrrolidine298690-84-356 % similar 2-(4-Methoxy-phenyl)-pyrrolidine74190-66-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(2-Chlorophenyl)pyrrolidine129540-21-2 2-(3-Chlorophenyl)pyrrolidine298690-74-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook