1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine

C20H24ClN — CID 171593524

IUPAC1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine
SMILESCC(C)C1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H24ClN/c1-16(2)20(18-8-10-19(21)11-9-18)12-13-22(15-20)14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3
InChIKeyOPWGAEAYTLPJDD-UHFFFAOYSA-N
MW313.87 g/mol
LogP5.14
Rot. Bonds4

About 1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine

1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine (PubChem CID 171593524) has the molecular formula C20H24ClN and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine
PubChem CID171593524
Molecular FormulaC20H24ClN
Molecular Weight313.87 g/mol
Exact Mass313.16
IUPAC Name1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine
SMILESCC(C)C1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H24ClN/c1-16(2)20(18-8-10-19(21)11-9-18)12-13-22(15-20)14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3
InChIKeyOPWGAEAYTLPJDD-UHFFFAOYSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.87
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-propan-2-yl-3-(4-propylphenyl)pyrrolidine
CID 167199921
1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
CID 18675820
1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
CID 130137250
1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
CID 87592673
4-[(3R)-1-benzyl-3-methylpyrrolidin-3-yl]aniline
CID 124566342
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171
[1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine
CID 83825251
2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid
CID 55071707
1-benzyl-3-fluoro-3-propan-2-ylazetidine
CID 163258397
7-benzyl-1-(4-chlorophenyl)-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 113248406
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine (CID 171593524) is 1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine is CC(C)C1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine?
The InChIKey is OPWGAEAYTLPJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN/c1-16(2)20(18-8-10-19(21)11-9-18)12-13-22(15-20)14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine?
1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine has a molecular weight of 313.87 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 171593524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).