1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride

C18H22Cl6N2 — CID 45259637

IUPAC1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride
SMILESCCNC(c1cc(Cl)cc(Cl)c1)C(NCC)c1cc(Cl)cc(Cl)c1.Cl.Cl
InChIInChI=1S/C18H20Cl4N2.2ClH/c1-3-23-17(11-5-13(19)9-14(20)6-11)18(24-4-2)12-7-15(21)10-16(22)8-12;;/h5-10,17-18,23-24H,3-4H2,1-2H3;2*1H
InChIKeyLXDJRPDCUWTSGJ-UHFFFAOYSA-N
MW479.11 g/mol
LogP7.15
Rot. Bonds7

About 1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride

1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride (PubChem CID 45259637) has the molecular formula C18H22Cl6N2 and a molecular weight of 479.11 g/mol. Its IUPAC name is 1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride
PubChem CID45259637
Molecular FormulaC18H22Cl6N2
Molecular Weight479.11 g/mol
Exact Mass475.99
IUPAC Name1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride
SMILESCCNC(c1cc(Cl)cc(Cl)c1)C(NCC)c1cc(Cl)cc(Cl)c1.Cl.Cl
InChIInChI=1S/C18H20Cl4N2.2ClH/c1-3-23-17(11-5-13(19)9-14(20)6-11)18(24-4-2)12-7-15(21)10-16(22)8-12;;/h5-10,17-18,23-24H,3-4H2,1-2H3;2*1H
InChIKeyLXDJRPDCUWTSGJ-UHFFFAOYSA-N
XLogP7.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.11
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride 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

1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978904
1-(3,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 115782535
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 63527053
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862
N-[(3,5-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299159
1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine
CID 105006003
N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016496
1-(3,5-dichlorophenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039546
N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492083
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024119
N-[(4,5-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 80533941

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride?
The IUPAC name of 1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride (CID 45259637) is 1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for 1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride is CCNC(c1cc(Cl)cc(Cl)c1)C(NCC)c1cc(Cl)cc(Cl)c1.Cl.Cl.
What is the InChIKey of 1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride?
The InChIKey is LXDJRPDCUWTSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl4N2.2ClH/c1-3-23-17(11-5-13(19)9-14(20)6-11)18(24-4-2)12-7-15(21)10-16(22)8-12;;/h5-10,17-18,23-24H,3-4H2,1-2H3;2*1H.
What are the key properties of 1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride?
1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride has a molecular weight of 479.11 g/mol, XLogP of 7.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 45259637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).