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

C10H14Cl2N2 — CID 16789744

IUPAC1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-14(2)10(6-13)7-3-4-8(11)9(12)5-7/h3-5,10H,6,13H2,1-2H3
InChIKeyWSDUPQJQYOYFPN-UHFFFAOYSA-N
MW233.14 g/mol
LogP2.55
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 16789744) 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 CID16789744
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-14(2)10(6-13)7-3-4-8(11)9(12)5-7/h3-5,10H,6,13H2,1-2H3
InChIKeyWSDUPQJQYOYFPN-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine 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-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
4-(3,4-dichlorophenyl)-4-(dimethylamino)butan-2-one
CID 116910574
3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol
CID 116911758
1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273492
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610889
1-(3,4-dichlorophenyl)-N,N-dimethylethanamine
CID 116914680
N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 61440583
1-(3-chloro-4-methylphenyl)-N-ethyl-N-methylethane-1,2-diamine
CID 106817250
1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948774
3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol
CID 116957715
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573

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 16789744) 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 CN(C)C(CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is WSDUPQJQYOYFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-14(2)10(6-13)7-3-4-8(11)9(12)5-7/h3-5,10H,6,13H2,1-2H3.
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 2.55, 3 rotatable bonds, 1 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 16789744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).