1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine

C21H19Cl2NO — CID 4715632

IUPAC1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
SMILESClc1ccccc1CNCc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H19Cl2NO/c22-19-10-4-1-7-16(19)13-24-14-17-8-3-6-12-21(17)25-15-18-9-2-5-11-20(18)23/h1-12,24H,13-15H2
InChIKeyQJPOWMJYLCAHCC-UHFFFAOYSA-N
MW372.30 g/mol
LogP5.86
Rot. Bonds7

About 1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine

1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine (PubChem CID 4715632) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
PubChem CID4715632
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC Name1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
SMILESClc1ccccc1CNCc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H19Cl2NO/c22-19-10-4-1-7-16(19)13-24-14-17-8-3-6-12-21(17)25-15-18-9-2-5-11-20(18)23/h1-12,24H,13-15H2
InChIKeyQJPOWMJYLCAHCC-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

Analyze 1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine with MolForge

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Related Compounds

N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 4721935
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209562
(1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 27153591
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208807
1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17206090
1-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208009
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717039
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 4722849
2-(1H-benzimidazol-2-yl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 66526972
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290924
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207299

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine?
The IUPAC name of 1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine (CID 4715632) is 1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine is Clc1ccccc1CNCc1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine?
The InChIKey is QJPOWMJYLCAHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c22-19-10-4-1-7-16(19)13-24-14-17-8-3-6-12-21(17)25-15-18-9-2-5-11-20(18)23/h1-12,24H,13-15H2.
What are the key properties of 1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine?
1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine 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 1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine is sourced from PubChem (CID 4715632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).