N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine

C18H22N2 — CID 3072413

IUPACN-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine
SMILESc1ccc(CNCC2CCCN2c2ccccc2)cc1
InChIInChI=1S/C18H22N2/c1-3-8-16(9-4-1)14-19-15-18-12-7-13-20(18)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2
InChIKeyHVJFLJHRNSZSIX-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.45
Rot. Bonds5

About N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine

N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine (PubChem CID 3072413) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine
PubChem CID3072413
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine
SMILESc1ccc(CNCC2CCCN2c2ccccc2)cc1
InChIInChI=1S/C18H22N2/c1-3-8-16(9-4-1)14-19-15-18-12-7-13-20(18)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2
InChIKeyHVJFLJHRNSZSIX-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989
N',N'-dimethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 3072404
1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea
CID 72719298
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea
CID 99903541
2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 90620054
2-(2-methylpropyl)-1-phenylpyrrolidine
CID 11241145
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine
CID 101376496
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide
CID 90619970
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine (CID 3072413) is N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine is c1ccc(CNCC2CCCN2c2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine?
The InChIKey is HVJFLJHRNSZSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-8-16(9-4-1)14-19-15-18-12-7-13-20(18)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2.
What are the key properties of N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine?
N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine has a molecular weight of 266.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 3072413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).