[2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine

C18H22N2 — CID 19959051

IUPAC[2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine
SMILESNCc1ccccc1C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H22N2/c19-12-16-8-4-5-9-18(16)17-10-11-20(14-17)13-15-6-2-1-3-7-15/h1-9,17H,10-14,19H2
InChIKeyNZEDXJDQAXKJIQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.13
Rot. Bonds4

About [2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine

[2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine (PubChem CID 19959051) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is [2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine
PubChem CID19959051
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name[2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine
SMILESNCc1ccccc1C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H22N2/c19-12-16-8-4-5-9-18(16)17-10-11-20(14-17)13-15-6-2-1-3-7-15/h1-9,17H,10-14,19H2
InChIKeyNZEDXJDQAXKJIQ-UHFFFAOYSA-N
XLogP3.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(2-propylphenyl)piperidine
CID 143140323
1-benzyl-3-(2-nitrophenyl)pyrrolidine
CID 23087338
1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
CID 173052074
[2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 107878368
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
CID 58171508
CID 58171508
1-benzyl-3-(4,5-dichloro-2-methoxyphenyl)pyrrolidine
CID 156722768
4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 95871341
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine?
The IUPAC name of [2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine (CID 19959051) is [2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine.
What is the SMILES notation for [2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine?
The canonical SMILES for [2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine is NCc1ccccc1C1CCN(Cc2ccccc2)C1.
What is the InChIKey of [2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine?
The InChIKey is NZEDXJDQAXKJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-12-16-8-4-5-9-18(16)17-10-11-20(14-17)13-15-6-2-1-3-7-15/h1-9,17H,10-14,19H2.
What are the key properties of [2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine?
[2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine is sourced from PubChem (CID 19959051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).