2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride

C24H25Cl3FNO2 — CID 17209966

IUPAC2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
SMILESCCOc1cccc(CNCCc2ccc(Cl)cc2Cl)c1OCc1ccccc1F.Cl
InChIInChI=1S/C24H24Cl2FNO2.ClH/c1-2-29-23-9-5-7-18(24(23)30-16-19-6-3-4-8-22(19)27)15-28-13-12-17-10-11-20(25)14-21(17)26;/h3-11,14,28H,2,12-13,15-16H2,1H3;1H
InChIKeyGCYLPSWAZIBXGL-UHFFFAOYSA-N
MW484.83 g/mol
LogP6.86
Rot. Bonds10

About 2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride

2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride (PubChem CID 17209966) has the molecular formula C24H25Cl3FNO2 and a molecular weight of 484.83 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
PubChem CID17209966
Molecular FormulaC24H25Cl3FNO2
Molecular Weight484.83 g/mol
Exact Mass483.09
IUPAC Name2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
SMILESCCOc1cccc(CNCCc2ccc(Cl)cc2Cl)c1OCc1ccccc1F.Cl
InChIInChI=1S/C24H24Cl2FNO2.ClH/c1-2-29-23-9-5-7-18(24(23)30-16-19-6-3-4-8-22(19)27)15-28-13-12-17-10-11-20(25)14-21(17)26;/h3-11,14,28H,2,12-13,15-16H2,1H3;1H
InChIKeyGCYLPSWAZIBXGL-UHFFFAOYSA-N
XLogP6.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.83
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine
CID 17209851
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17212733
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 17212686
N'-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17216215
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212650
2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17209623
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17206183
N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine;hydrochloride
CID 17212617
(2R)-1-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51987173
1-[2-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17216203
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289861
N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718662

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride (CID 17209966) is 2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride is CCOc1cccc(CNCCc2ccc(Cl)cc2Cl)c1OCc1ccccc1F.Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride?
The InChIKey is GCYLPSWAZIBXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2FNO2.ClH/c1-2-29-23-9-5-7-18(24(23)30-16-19-6-3-4-8-22(19)27)15-28-13-12-17-10-11-20(25)14-21(17)26;/h3-11,14,28H,2,12-13,15-16H2,1H3;1H.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride?
2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride has a molecular weight of 484.83 g/mol, XLogP of 6.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17209966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).