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

C26H23Cl3FNO — CID 17209736

IUPAC2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride
SMILESCl.Fc1ccc(COc2ccc3ccccc3c2CNCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H22Cl2FNO.ClH/c27-21-9-7-20(25(28)15-21)13-14-30-16-24-23-4-2-1-3-19(23)8-12-26(24)31-17-18-5-10-22(29)11-6-18;/h1-12,15,30H,13-14,16-17H2;1H
InChIKeyABBKSGVYMZIZTR-UHFFFAOYSA-N
MW490.83 g/mol
LogP7.62
Rot. Bonds8

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

2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride (PubChem CID 17209736) has the molecular formula C26H23Cl3FNO and a molecular weight of 490.83 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride
PubChem CID17209736
Molecular FormulaC26H23Cl3FNO
Molecular Weight490.83 g/mol
Exact Mass489.08
IUPAC Name2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride
SMILESCl.Fc1ccc(COc2ccc3ccccc3c2CNCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H22Cl2FNO.ClH/c27-21-9-7-20(25(28)15-21)13-14-30-16-24-23-4-2-1-3-19(23)8-12-26(24)31-17-18-5-10-22(29)11-6-18;/h1-12,15,30H,13-14,16-17H2;1H
InChIKeyABBKSGVYMZIZTR-UHFFFAOYSA-N
XLogP7.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.83
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209602
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 17294824
1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17289773
2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294818
2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17209623
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66535931
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294819
2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054879
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17291175
5-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]pentan-1-ol;hydrochloride
CID 17211551

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride (CID 17209736) is 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride is Cl.Fc1ccc(COc2ccc3ccccc3c2CNCCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride?
The InChIKey is ABBKSGVYMZIZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2FNO.ClH/c27-21-9-7-20(25(28)15-21)13-14-30-16-24-23-4-2-1-3-19(23)8-12-26(24)31-17-18-5-10-22(29)11-6-18;/h1-12,15,30H,13-14,16-17H2;1H.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride?
2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride has a molecular weight of 490.83 g/mol, XLogP of 7.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17209736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).