1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine

C18H21ClN2 — CID 130528224

IUPAC1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(Cl)c2)CN1Cc1ccccc1
InChIInChI=1S/C18H21ClN2/c1-14-10-18(20-17-9-5-8-16(19)11-17)13-21(14)12-15-6-3-2-4-7-15/h2-9,11,14,18,20H,10,12-13H2,1H3
InChIKeyZMRULVIDUSRXGB-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.41
Rot. Bonds4

About 1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine

1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine (PubChem CID 130528224) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine
PubChem CID130528224
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine
SMILESCC1CC(Nc2cccc(Cl)c2)CN1Cc1ccccc1
InChIInChI=1S/C18H21ClN2/c1-14-10-18(20-17-9-5-8-16(19)11-17)13-21(14)12-15-6-3-2-4-7-15/h2-9,11,14,18,20H,10,12-13H2,1H3
InChIKeyZMRULVIDUSRXGB-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-N-(3-chlorophenyl)-5-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

Related Compounds

N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466507
N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyridin-3-amine
CID 130164851
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine
CID 131197683
N-(1-benzyl-5-methylpyrrolidin-3-yl)-6-methylpyrimidin-4-amine
CID 130857368
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine
CID 130528313
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine
CID 131008130
N-[2-[(1-benzyl-5-methylpyrrolidin-3-yl)amino]phenyl]methanesulfonamide
CID 112742796
2-N-(1-benzyl-5-methylpyrrolidin-3-yl)pyridine-2,3-diamine
CID 131097771

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine (CID 130528224) is 1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine is CC1CC(Nc2cccc(Cl)c2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine?
The InChIKey is ZMRULVIDUSRXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-14-10-18(20-17-9-5-8-16(19)11-17)13-21(14)12-15-6-3-2-4-7-15/h2-9,11,14,18,20H,10,12-13H2,1H3.
What are the key properties of 1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine?
1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine has a molecular weight of 300.83 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 130528224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).