1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride

C25H22Cl3NO — CID 17289773

IUPAC1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
SMILESCl.Clc1ccc(COc2ccc3ccccc3c2CNCc2ccccc2Cl)cc1
InChIInChI=1S/C25H21Cl2NO.ClH/c26-21-12-9-18(10-13-21)17-29-25-14-11-19-5-1-3-7-22(19)23(25)16-28-15-20-6-2-4-8-24(20)27;/h1-14,28H,15-17H2;1H
InChIKeyHQLSABFVYSRMPS-UHFFFAOYSA-N
MW458.82 g/mol
LogP7.44
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride

1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride (PubChem CID 17289773) has the molecular formula C25H22Cl3NO and a molecular weight of 458.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
PubChem CID17289773
Molecular FormulaC25H22Cl3NO
Molecular Weight458.82 g/mol
Exact Mass457.08
IUPAC Name1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
SMILESCl.Clc1ccc(COc2ccc3ccccc3c2CNCc2ccccc2Cl)cc1
InChIInChI=1S/C25H21Cl2NO.ClH/c26-21-12-9-18(10-13-21)17-29-25-14-11-19-5-1-3-7-22(19)23(25)16-28-15-20-6-2-4-8-24(20)27;/h1-14,28H,15-17H2;1H
InChIKeyHQLSABFVYSRMPS-UHFFFAOYSA-N
XLogP7.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.82
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride with MolForge

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Related Compounds

2-[2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294792
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724097
2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid
CID 66527086
1-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54849395
2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride
CID 17209736
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methylbutan-2-amine;hydrochloride
CID 17210770
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209602
1-(2-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17208275
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526135
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
CID 4722236

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride (CID 17289773) is 1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride is Cl.Clc1ccc(COc2ccc3ccccc3c2CNCc2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride?
The InChIKey is HQLSABFVYSRMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2NO.ClH/c26-21-12-9-18(10-13-21)17-29-25-14-11-19-5-1-3-7-22(19)23(25)16-28-15-20-6-2-4-8-24(20)27;/h1-14,28H,15-17H2;1H.
What are the key properties of 1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride?
1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride has a molecular weight of 458.82 g/mol, XLogP of 7.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride is sourced from PubChem (CID 17289773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).