2-(4-Chlorophenyl)pyrrolidine

C₁₀H₁₂ClNCAS 38944-14-8181.66 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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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-Phenylpiperidine3466-80-655 % 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

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