N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride

C22H28Cl3NO — CID 17331493

IUPACN-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
SMILESCl.Clc1ccc(COc2ccccc2CNC2CCCCCCC2)c(Cl)c1
InChIInChI=1S/C22H27Cl2NO.ClH/c23-19-13-12-18(21(24)14-19)16-26-22-11-7-6-8-17(22)15-25-20-9-4-2-1-3-5-10-20;/h6-8,11-14,20,25H,1-5,9-10,15-16H2;1H
InChIKeyKCXDHJZHAKUEEN-UHFFFAOYSA-N
MW428.83 g/mol
LogP7.20
Rot. Bonds6

About N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride

N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride (PubChem CID 17331493) has the molecular formula C22H28Cl3NO and a molecular weight of 428.83 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
PubChem CID17331493
Molecular FormulaC22H28Cl3NO
Molecular Weight428.83 g/mol
Exact Mass427.12
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
SMILESCl.Clc1ccc(COc2ccccc2CNC2CCCCCCC2)c(Cl)c1
InChIInChI=1S/C22H27Cl2NO.ClH/c23-19-13-12-18(21(24)14-19)16-26-22-11-7-6-8-17(22)15-25-20-9-4-2-1-3-5-10-20;/h6-8,11-14,20,25H,1-5,9-10,15-16H2;1H
InChIKeyKCXDHJZHAKUEEN-UHFFFAOYSA-N
XLogP7.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.83
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 4720065
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723073
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331546
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine;hydrochloride
CID 17331509
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride
CID 17294822
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723049
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 2950069
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17295145
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine;hydrochloride
CID 17296024
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 4722443
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]cyclohexanamine
CID 4721498

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride (CID 17331493) is N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride is Cl.Clc1ccc(COc2ccccc2CNC2CCCCCCC2)c(Cl)c1.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride?
The InChIKey is KCXDHJZHAKUEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO.ClH/c23-19-13-12-18(21(24)14-19)16-26-22-11-7-6-8-17(22)15-25-20-9-4-2-1-3-5-10-20;/h6-8,11-14,20,25H,1-5,9-10,15-16H2;1H.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride?
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride has a molecular weight of 428.83 g/mol, XLogP of 7.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride is sourced from PubChem (CID 17331493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).