N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine

C20H24ClNO — CID 4721424

IUPACN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
SMILESClc1ccc(COc2cccc(CNC3CCCCC3)c2)cc1
InChIInChI=1S/C20H24ClNO/c21-18-11-9-16(10-12-18)15-23-20-8-4-5-17(13-20)14-22-19-6-2-1-3-7-19/h4-5,8-13,19,22H,1-3,6-7,14-15H2
InChIKeyYYFMGEBNBXPFQA-UHFFFAOYSA-N
MW329.87 g/mol
LogP5.34
Rot. Bonds6

About N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine (PubChem CID 4721424) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
PubChem CID4721424
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
SMILESClc1ccc(COc2cccc(CNC3CCCCC3)c2)cc1
InChIInChI=1S/C20H24ClNO/c21-18-11-9-16(10-12-18)15-23-20-8-4-5-17(13-20)14-22-19-6-2-1-3-7-19/h4-5,8-13,19,22H,1-3,6-7,14-15H2
InChIKeyYYFMGEBNBXPFQA-UHFFFAOYSA-N
XLogP5.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.87
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371
N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine
CID 10024703
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17056949
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 27108901
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27108899
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17057052

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine?
The IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine (CID 4721424) is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine is Clc1ccc(COc2cccc(CNC3CCCCC3)c2)cc1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine?
The InChIKey is YYFMGEBNBXPFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c21-18-11-9-16(10-12-18)15-23-20-8-4-5-17(13-20)14-22-19-6-2-1-3-7-19/h4-5,8-13,19,22H,1-3,6-7,14-15H2.
What are the key properties of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine?
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine has a molecular weight of 329.87 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine is sourced from PubChem (CID 4721424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).