N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine

C21H19Cl2NO — CID 2193477

IUPACN-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
SMILESClc1ccc(OCc2ccccc2Cl)c(CNCc2ccccc2)c1
InChIInChI=1S/C21H19Cl2NO/c22-19-10-11-21(25-15-17-8-4-5-9-20(17)23)18(12-19)14-24-13-16-6-2-1-3-7-16/h1-12,24H,13-15H2
InChIKeyBRHWOEBIRKIZAU-UHFFFAOYSA-N
MW372.30 g/mol
LogP5.86
Rot. Bonds7

About N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine

N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine (PubChem CID 2193477) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
PubChem CID2193477
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC NameN-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
SMILESClc1ccc(OCc2ccccc2Cl)c(CNCc2ccccc2)c1
InChIInChI=1S/C21H19Cl2NO/c22-19-10-11-21(25-15-17-8-4-5-9-20(17)23)18(12-19)14-24-13-16-6-2-1-3-7-16/h1-12,24H,13-15H2
InChIKeyBRHWOEBIRKIZAU-UHFFFAOYSA-N
XLogP5.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.30
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine (CID 2193477) is N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine is Clc1ccc(OCc2ccccc2Cl)c(CNCc2ccccc2)c1.
What is the InChIKey of N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine?
The InChIKey is BRHWOEBIRKIZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c22-19-10-11-21(25-15-17-8-4-5-9-20(17)23)18(12-19)14-24-13-16-6-2-1-3-7-16/h1-12,24H,13-15H2.
What are the key properties of N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine?
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine has a molecular weight of 372.30 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 2193477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).