N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride

C20H24BrCl2NO — CID 17296024

IUPACN-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride
SMILESCl.Clc1ccccc1COc1ccc(Br)cc1CNC1CCCCC1
InChIInChI=1S/C20H23BrClNO.ClH/c21-17-10-11-20(24-14-15-6-4-5-9-19(15)22)16(12-17)13-23-18-7-2-1-3-8-18;/h4-6,9-12,18,23H,1-3,7-8,13-14H2;1H
InChIKeyQQPAOVJYQXPRNC-UHFFFAOYSA-N
MW445.23 g/mol
LogP6.53
Rot. Bonds6

About N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride

N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride (PubChem CID 17296024) has the molecular formula C20H24BrCl2NO and a molecular weight of 445.23 g/mol. Its IUPAC name is N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride
PubChem CID17296024
Molecular FormulaC20H24BrCl2NO
Molecular Weight445.23 g/mol
Exact Mass443.04
IUPAC NameN-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride
SMILESCl.Clc1ccccc1COc1ccc(Br)cc1CNC1CCCCC1
InChIInChI=1S/C20H23BrClNO.ClH/c21-17-10-11-20(24-14-15-6-4-5-9-19(15)22)16(12-17)13-23-18-7-2-1-3-8-18;/h4-6,9-12,18,23H,1-3,7-8,13-14H2;1H
InChIKeyQQPAOVJYQXPRNC-UHFFFAOYSA-N
XLogP6.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.23
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331546
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723049
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331537
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17295145
N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 43277669
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17155854
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclohexanamine
CID 66532864
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294662
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331493
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline
CID 126184009
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721508

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride?
The IUPAC name of N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride (CID 17296024) is N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride.
What is the SMILES notation for N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride?
The canonical SMILES for N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride is Cl.Clc1ccccc1COc1ccc(Br)cc1CNC1CCCCC1.
What is the InChIKey of N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride?
The InChIKey is QQPAOVJYQXPRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrClNO.ClH/c21-17-10-11-20(24-14-15-6-4-5-9-19(15)22)16(12-17)13-23-18-7-2-1-3-8-18;/h4-6,9-12,18,23H,1-3,7-8,13-14H2;1H.
What are the key properties of N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride?
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride has a molecular weight of 445.23 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride is sourced from PubChem (CID 17296024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).