N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine

C17H19ClN2 — CID 66854515

IUPACN-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine
SMILESClc1ccc(CNC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C17H19ClN2/c18-15-8-6-14(7-9-15)12-19-16-10-11-20(13-16)17-4-2-1-3-5-17/h1-9,16,19H,10-13H2
InChIKeyZHZUPJICBOXNKA-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.71
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine

N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine (PubChem CID 66854515) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine
PubChem CID66854515
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC NameN-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine
SMILESClc1ccc(CNC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C17H19ClN2/c18-15-8-6-14(7-9-15)12-19-16-10-11-20(13-16)17-4-2-1-3-5-17/h1-9,16,19H,10-13H2
InChIKeyZHZUPJICBOXNKA-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[1-(methylsulfanylamino)ethyl]phenyl]methyl]-1-phenylpyrrolidin-3-amine
CID 130461517
[1-[[(1-phenylpyrrolidin-3-yl)amino]methyl]cyclopropyl]methanol
CID 122568409
N-benzyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993791
4-[[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122031026
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylpyrrolidin-3-amine
CID 71863695
(3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid
CID 68661601
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine
CID 124546130
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
N-benzyl-1-thiophen-3-ylpiperidin-3-amine
CID 83993766
(3R)-1-(3-chloro-4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97340201
1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone
CID 58315701

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine (CID 66854515) is N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine is Clc1ccc(CNC2CCN(c3ccccc3)C2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine?
The InChIKey is ZHZUPJICBOXNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-15-8-6-14(7-9-15)12-19-16-10-11-20(13-16)17-4-2-1-3-5-17/h1-9,16,19H,10-13H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine?
N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine has a molecular weight of 286.81 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine is sourced from PubChem (CID 66854515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).