2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride

C24H26Cl3NO2 — CID 17208783

IUPAC2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
SMILESCCOc1cccc(CNCCc2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H25Cl2NO2.ClH/c1-2-28-23-5-3-4-20(16-27-15-14-18-6-10-21(25)11-7-18)24(23)29-17-19-8-12-22(26)13-9-19;/h3-13,27H,2,14-17H2,1H3;1H
InChIKeyBTNIAKURYQPYJH-UHFFFAOYSA-N
MW466.84 g/mol
LogP6.73
Rot. Bonds10

About 2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride

2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride (PubChem CID 17208783) has the molecular formula C24H26Cl3NO2 and a molecular weight of 466.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
PubChem CID17208783
Molecular FormulaC24H26Cl3NO2
Molecular Weight466.84 g/mol
Exact Mass465.10
IUPAC Name2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
SMILESCCOc1cccc(CNCCc2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C24H25Cl2NO2.ClH/c1-2-28-23-5-3-4-20(16-27-15-14-18-6-10-21(25)11-7-18)24(23)29-17-19-8-12-22(26)13-9-19;/h3-13,27H,2,14-17H2,1H3;1H
InChIKeyBTNIAKURYQPYJH-UHFFFAOYSA-N
XLogP6.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.84
LogP ≤ 56.73
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

N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17212733
4-[2-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17212731
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17206149
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17216237
2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208415
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]heptan-1-amine
CID 17206174
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212716
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 17208464
2-(2,4-dichlorophenyl)-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine
CID 17209851
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17290756
2-(4-chlorophenyl)-N-[(2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208380
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]hexan-1-amine;hydrochloride
CID 17291067

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride (CID 17208783) is 2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride is CCOc1cccc(CNCCc2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride?
The InChIKey is BTNIAKURYQPYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2NO2.ClH/c1-2-28-23-5-3-4-20(16-27-15-14-18-6-10-21(25)11-7-18)24(23)29-17-19-8-12-22(26)13-9-19;/h3-13,27H,2,14-17H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride?
2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride has a molecular weight of 466.84 g/mol, XLogP of 6.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17208783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).