N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine

C22H27Cl2NO — CID 4723071

IUPACN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
SMILESClc1ccc(COc2ccc(Cl)cc2CNC2CCCCCCC2)cc1
InChIInChI=1S/C22H27Cl2NO/c23-19-10-8-17(9-11-19)16-26-22-13-12-20(24)14-18(22)15-25-21-6-4-2-1-3-5-7-21/h8-14,21,25H,1-7,15-16H2
InChIKeyGGZRABBVXPYTNM-UHFFFAOYSA-N
MW392.37 g/mol
LogP6.77
Rot. Bonds6

About N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine

N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine (PubChem CID 4723071) has the molecular formula C22H27Cl2NO and a molecular weight of 392.37 g/mol. Its IUPAC name is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
PubChem CID4723071
Molecular FormulaC22H27Cl2NO
Molecular Weight392.37 g/mol
Exact Mass391.15
IUPAC NameN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
SMILESClc1ccc(COc2ccc(Cl)cc2CNC2CCCCCCC2)cc1
InChIInChI=1S/C22H27Cl2NO/c23-19-10-8-17(9-11-19)16-26-22-13-12-20(24)14-18(22)15-25-21-6-4-2-1-3-5-7-21/h8-14,21,25H,1-7,15-16H2
InChIKeyGGZRABBVXPYTNM-UHFFFAOYSA-N
XLogP6.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.37
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 17055759
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17055758
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723073
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17056949
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17057052
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 2950069
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721508
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723049

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine?
The IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine (CID 4723071) is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine.
What is the SMILES notation for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine?
The canonical SMILES for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine is Clc1ccc(COc2ccc(Cl)cc2CNC2CCCCCCC2)cc1.
What is the InChIKey of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine?
The InChIKey is GGZRABBVXPYTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO/c23-19-10-8-17(9-11-19)16-26-22-13-12-20(24)14-18(22)15-25-21-6-4-2-1-3-5-7-21/h8-14,21,25H,1-7,15-16H2.
What are the key properties of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine?
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine has a molecular weight of 392.37 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine is sourced from PubChem (CID 4723071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).