N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride

C25H28Cl3NO — CID 17294822

IUPACN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride
SMILESCl.Clc1ccc(COc2ccc3ccccc3c2CNC2CCCCCC2)c(Cl)c1
InChIInChI=1S/C25H27Cl2NO.ClH/c26-20-13-11-19(24(27)15-20)17-29-25-14-12-18-7-5-6-10-22(18)23(25)16-28-21-8-3-1-2-4-9-21;/h5-7,10-15,21,28H,1-4,8-9,16-17H2;1H
InChIKeyZWJRVAGFWQAEAN-UHFFFAOYSA-N
MW464.86 g/mol
LogP7.96
Rot. Bonds6

About N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride

N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride (PubChem CID 17294822) has the molecular formula C25H28Cl3NO and a molecular weight of 464.86 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride
PubChem CID17294822
Molecular FormulaC25H28Cl3NO
Molecular Weight464.86 g/mol
Exact Mass463.12
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride
SMILESCl.Clc1ccc(COc2ccc3ccccc3c2CNC2CCCCCC2)c(Cl)c1
InChIInChI=1S/C25H27Cl2NO.ClH/c26-20-13-11-19(24(27)15-20)17-29-25-14-12-18-7-5-6-10-22(18)23(25)16-28-21-8-3-1-2-4-9-21;/h5-7,10-15,21,28H,1-4,8-9,16-17H2;1H
InChIKeyZWJRVAGFWQAEAN-UHFFFAOYSA-N
XLogP7.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.86
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride
CID 17159061
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride
CID 17296016
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331493
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-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine
CID 4715827
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
CID 4721414
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331546
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 17294824
2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294818
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723049
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclopropanamine
CID 4721070

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride (CID 17294822) is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride is Cl.Clc1ccc(COc2ccc3ccccc3c2CNC2CCCCCC2)c(Cl)c1.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride?
The InChIKey is ZWJRVAGFWQAEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2NO.ClH/c26-20-13-11-19(24(27)15-20)17-29-25-14-12-18-7-5-6-10-22(18)23(25)16-28-21-8-3-1-2-4-9-21;/h5-7,10-15,21,28H,1-4,8-9,16-17H2;1H.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride?
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride has a molecular weight of 464.86 g/mol, XLogP of 7.96, 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]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride is sourced from PubChem (CID 17294822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).