1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine

C10H14Cl2N2 — CID 116947987

IUPAC1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCC(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-13-6-10(14-2)7-3-4-8(11)9(12)5-7/h3-5,10,13-14H,6H2,1-2H3
InChIKeyKZNDZBSZCUGWPS-UHFFFAOYSA-N
MW233.14 g/mol
LogP2.47
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine

1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 116947987) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID116947987
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCC(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-13-6-10(14-2)7-3-4-8(11)9(12)5-7/h3-5,10,13-14H,6H2,1-2H3
InChIKeyKZNDZBSZCUGWPS-UHFFFAOYSA-N
XLogP2.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 43486511
1-(3,4-dichlorophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949498
1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947925
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 23202154
1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
CID 81492431
1-(3,4-dichlorophenyl)-N-methylhex-4-yn-1-amine
CID 104807089
2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81491759
2-(4-chlorophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 66145138
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 106866146

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine (CID 116947987) is 1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine is CNCC(NC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is KZNDZBSZCUGWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-13-6-10(14-2)7-3-4-8(11)9(12)5-7/h3-5,10,13-14H,6H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine?
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 233.14 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 116947987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).