[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine

C22H23ClN2 — CID 142934357

IUPAC[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine
SMILESNCc1ccc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H23ClN2/c23-22-12-10-21(11-13-22)17-25(15-19-4-2-1-3-5-19)16-20-8-6-18(14-24)7-9-20/h1-13H,14-17,24H2
InChIKeyAGCVCWZINZLXDM-UHFFFAOYSA-N
MW350.89 g/mol
LogP5.00
Rot. Bonds7

About [4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine

[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine (PubChem CID 142934357) has the molecular formula C22H23ClN2 and a molecular weight of 350.89 g/mol. Its IUPAC name is [4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine
PubChem CID142934357
Molecular FormulaC22H23ClN2
Molecular Weight350.89 g/mol
Exact Mass350.15
IUPAC Name[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine
SMILESNCc1ccc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H23ClN2/c23-22-12-10-21(11-13-22)17-25(15-19-4-2-1-3-5-19)16-20-8-6-18(14-24)7-9-20/h1-13H,14-17,24H2
InChIKeyAGCVCWZINZLXDM-UHFFFAOYSA-N
XLogP5.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.89
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 4651725
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
bis(4-chlorophenol);phenylmethanamine
CID 70600603
phenylmethanamine
CID 19864074
ethane;phenylmethanamine;vanadium
CID 158602574
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
phenylmethanamine;titanium(2+)
CID 21287655
phenylmethanamine;dodecahydrobromide
CID 175510511
phenylmethanamine;trihydrobromide
CID 175177372
sodium phenylmethanamine
CID 172793696
5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750653

Frequently Asked Questions

What is the IUPAC name of [4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine?
The IUPAC name of [4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine (CID 142934357) is [4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine is NCc1ccc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine?
The InChIKey is AGCVCWZINZLXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2/c23-22-12-10-21(11-13-22)17-25(15-19-4-2-1-3-5-19)16-20-8-6-18(14-24)7-9-20/h1-13H,14-17,24H2.
What are the key properties of [4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine?
[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine has a molecular weight of 350.89 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine is sourced from PubChem (CID 142934357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).