(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine

C14H21ClN2 — CID 58688933

IUPAC(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine
SMILESCN[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2/c1-16-14-8-10-17(11-14)9-2-3-12-4-6-13(15)7-5-12/h4-7,14,16H,2-3,8-11H2,1H3/t14-/m1/s1
InChIKeyZLFQIDUTHUOIIR-CQSZACIVSA-N
MW252.79 g/mol
LogP2.57
Rot. Bonds5

About (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine

(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine (PubChem CID 58688933) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine
PubChem CID58688933
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine
SMILESCN[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2/c1-16-14-8-10-17(11-14)9-2-3-12-4-6-13(15)7-5-12/h4-7,14,16H,2-3,8-11H2,1H3/t14-/m1/s1
InChIKeyZLFQIDUTHUOIIR-CQSZACIVSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine (CID 58688933) is (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine is CN[C@@H]1CCN(CCCc2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine?
The InChIKey is ZLFQIDUTHUOIIR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-16-14-8-10-17(11-14)9-2-3-12-4-6-13(15)7-5-12/h4-7,14,16H,2-3,8-11H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine?
(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine has a molecular weight of 252.79 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 58688933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).