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

C22H26Cl3NO — CID 4723073

IUPACN-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
SMILESClc1ccc(COc2ccc(Cl)cc2CNC2CCCCCCC2)c(Cl)c1
InChIInChI=1S/C22H26Cl3NO/c23-18-10-11-22(27-15-16-8-9-19(24)13-21(16)25)17(12-18)14-26-20-6-4-2-1-3-5-7-20/h8-13,20,26H,1-7,14-15H2
InChIKeyTZGUQEDGQSJOSO-UHFFFAOYSA-N
MW426.82 g/mol
LogP7.43
Rot. Bonds6

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

N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine (PubChem CID 4723073) has the molecular formula C22H26Cl3NO and a molecular weight of 426.82 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
PubChem CID4723073
Molecular FormulaC22H26Cl3NO
Molecular Weight426.82 g/mol
Exact Mass425.11
IUPAC NameN-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
SMILESClc1ccc(COc2ccc(Cl)cc2CNC2CCCCCCC2)c(Cl)c1
InChIInChI=1S/C22H26Cl3NO/c23-18-10-11-22(27-15-16-8-9-19(24)13-21(16)25)17(12-18)14-26-20-6-4-2-1-3-5-7-20/h8-13,20,26H,1-7,14-15H2
InChIKeyTZGUQEDGQSJOSO-UHFFFAOYSA-N
XLogP7.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.82
LogP ≤ 57.43
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
CID 4723049
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331546
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 4720065
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331493
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723071
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17295145
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]cyclohexanamine
CID 4721498
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride
CID 17294822
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 2950069
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine;hydrochloride
CID 17331509
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 4721628

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine?
The IUPAC name of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine (CID 4723073) is N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine.
What is the SMILES notation for N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine?
The canonical SMILES for N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine is Clc1ccc(COc2ccc(Cl)cc2CNC2CCCCCCC2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine?
The InChIKey is TZGUQEDGQSJOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl3NO/c23-18-10-11-22(27-15-16-8-9-19(24)13-21(16)25)17(12-18)14-26-20-6-4-2-1-3-5-7-20/h8-13,20,26H,1-7,14-15H2.
What are the key properties of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine?
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine has a molecular weight of 426.82 g/mol, XLogP of 7.43, 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-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine is sourced from PubChem (CID 4723073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).