1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol

C20H24Cl4N2O2 — CID 44537014

IUPAC1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol
SMILESCN(CCN(C)CC(O)c1ccc(Cl)c(Cl)c1)CC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl4N2O2/c1-25(11-19(27)13-3-5-15(21)17(23)9-13)7-8-26(2)12-20(28)14-4-6-16(22)18(24)10-14/h3-6,9-10,19-20,27-28H,7-8,11-12H2,1-2H3
InChIKeyZBYMYTLWDADAGM-UHFFFAOYSA-N
MW466.24 g/mol
LogP4.93
Rot. Bonds9

About 1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol

1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol (PubChem CID 44537014) has the molecular formula C20H24Cl4N2O2 and a molecular weight of 466.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol
PubChem CID44537014
Molecular FormulaC20H24Cl4N2O2
Molecular Weight466.24 g/mol
Exact Mass464.06
IUPAC Name1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol
SMILESCN(CCN(C)CC(O)c1ccc(Cl)c(Cl)c1)CC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl4N2O2/c1-25(11-19(27)13-3-5-15(21)17(23)9-13)7-8-26(2)12-20(28)14-4-6-16(22)18(24)10-14/h3-6,9-10,19-20,27-28H,7-8,11-12H2,1-2H3
InChIKeyZBYMYTLWDADAGM-UHFFFAOYSA-N
XLogP4.93
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.24
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-methylamino]propanoic acid
CID 110830643
(4S)-4-(3,4-dichlorophenyl)-4-hydroxybutan-2-one
CID 101046383
(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol
CID 92856160
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)ethanol
CID 63701341
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
CID 63699776
3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol
CID 82073458
1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163
3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
CID 140626356
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 82216731
1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908142
(1S,3R)-3-amino-1-(3,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237440

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol (CID 44537014) is 1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol is CN(CCN(C)CC(O)c1ccc(Cl)c(Cl)c1)CC(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol?
The InChIKey is ZBYMYTLWDADAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl4N2O2/c1-25(11-19(27)13-3-5-15(21)17(23)9-13)7-8-26(2)12-20(28)14-4-6-16(22)18(24)10-14/h3-6,9-10,19-20,27-28H,7-8,11-12H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol?
1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol has a molecular weight of 466.24 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-[2-[[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-methylamino]ethyl-methylamino]ethanol is sourced from PubChem (CID 44537014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).