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

C23H22Cl5NO2 — CID 17209792

IUPAC2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
SMILESCOc1cc(CNCCc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C23H21Cl4NO2.ClH/c1-29-23-11-15(13-28-9-8-17-4-5-18(24)12-20(17)26)3-7-22(23)30-14-16-2-6-19(25)21(27)10-16;/h2-7,10-12,28H,8-9,13-14H2,1H3;1H
InChIKeyUPFIFICTBIATPF-UHFFFAOYSA-N
MW521.70 g/mol
LogP7.64
Rot. Bonds9

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

2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride (PubChem CID 17209792) has the molecular formula C23H22Cl5NO2 and a molecular weight of 521.70 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
PubChem CID17209792
Molecular FormulaC23H22Cl5NO2
Molecular Weight521.70 g/mol
Exact Mass519.01
IUPAC Name2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
SMILESCOc1cc(CNCCc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C23H21Cl4NO2.ClH/c1-29-23-11-15(13-28-9-8-17-4-5-18(24)12-20(17)26)3-7-22(23)30-14-16-2-6-19(25)21(27)10-16;/h2-7,10-12,28H,8-9,13-14H2,1H3;1H
InChIKeyUPFIFICTBIATPF-UHFFFAOYSA-N
XLogP7.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.70
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17208614
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209578
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4719683
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209702
N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 4722426
2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol
CID 4719844
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331190
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332699
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17294158
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 4716681
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207224
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4722411

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride (CID 17209792) is 2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride is COc1cc(CNCCc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride?
The InChIKey is UPFIFICTBIATPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl4NO2.ClH/c1-29-23-11-15(13-28-9-8-17-4-5-18(24)12-20(17)26)3-7-22(23)30-14-16-2-6-19(25)21(27)10-16;/h2-7,10-12,28H,8-9,13-14H2,1H3;1H.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride?
2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride has a molecular weight of 521.70 g/mol, XLogP of 7.64, 9 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-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17209792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).