N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine

C22H22ClN — CID 4651725

IUPACN-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
SMILESClc1ccc(CN(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H22ClN/c23-22-13-11-21(12-14-22)18-24(17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19/h1-14H,15-18H2
InChIKeyJGEXAYVJXHJTOY-UHFFFAOYSA-N
MW335.88 g/mol
LogP5.58
Rot. Bonds7

About N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine

N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine (PubChem CID 4651725) has the molecular formula C22H22ClN and a molecular weight of 335.88 g/mol. Its IUPAC name is N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
PubChem CID4651725
Molecular FormulaC22H22ClN
Molecular Weight335.88 g/mol
Exact Mass335.14
IUPAC NameN-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
SMILESClc1ccc(CN(CCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H22ClN/c23-22-13-11-21(12-14-22)18-24(17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19/h1-14H,15-18H2
InChIKeyJGEXAYVJXHJTOY-UHFFFAOYSA-N
XLogP5.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.88
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N-[2-(4-chlorophenyl)ethyl]-N-(2-phenylethyl)propan-1-amine
CID 11370098
N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine
CID 163873740
4-[2-[benzyl-[3-(4-chlorophenyl)propyl]amino]ethyl]-2,6-dichloroaniline;hydrochloride
CID 69254359
[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934357
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
N,N-dibenzyl-2-(4-nitrophenyl)ethanamine
CID 11057117
4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol
CID 142099028
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine?
The IUPAC name of N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine (CID 4651725) is N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine?
The canonical SMILES for N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine is Clc1ccc(CN(CCc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine?
The InChIKey is JGEXAYVJXHJTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN/c23-22-13-11-21(12-14-22)18-24(17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19/h1-14H,15-18H2.
What are the key properties of N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine?
N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine has a molecular weight of 335.88 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 4651725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).