[4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine

C18H22N2 — CID 62308459

IUPAC[4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine
SMILESCc1ccc(CN)c(N2CCCC2c2ccccc2)c1
InChIInChI=1S/C18H22N2/c1-14-9-10-16(13-19)18(12-14)20-11-5-8-17(20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13,19H2,1H3
InChIKeyXIHSNRHNVHKFHP-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.80
Rot. Bonds3

About [4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine

[4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 62308459) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is [4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID62308459
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name[4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine
SMILESCc1ccc(CN)c(N2CCCC2c2ccccc2)c1
InChIInChI=1S/C18H22N2/c1-14-9-10-16(13-19)18(12-14)20-11-5-8-17(20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13,19H2,1H3
InChIKeyXIHSNRHNVHKFHP-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine 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 [4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine (CID 62308459) is [4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine is Cc1ccc(CN)c(N2CCCC2c2ccccc2)c1.
What is the InChIKey of [4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is XIHSNRHNVHKFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14-9-10-16(13-19)18(12-14)20-11-5-8-17(20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13,19H2,1H3.
What are the key properties of [4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine?
[4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 62308459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).