1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine

C14H12Cl4N2 — CID 5113981

IUPAC1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine
SMILESNC(c1ccc(Cl)cc1Cl)C(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl4N2/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6,13-14H,19-20H2
InChIKeyUXVDOQZLEYUGHO-UHFFFAOYSA-N
MW350.08 g/mol
LogP5.00
Rot. Bonds3

About 1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine

1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine (PubChem CID 5113981) has the molecular formula C14H12Cl4N2 and a molecular weight of 350.08 g/mol. Its IUPAC name is 1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine
PubChem CID5113981
Molecular FormulaC14H12Cl4N2
Molecular Weight350.08 g/mol
Exact Mass347.98
IUPAC Name1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine
SMILESNC(c1ccc(Cl)cc1Cl)C(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl4N2/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6,13-14H,19-20H2
InChIKeyUXVDOQZLEYUGHO-UHFFFAOYSA-N
XLogP5.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.08
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2-bis(2,4-dichlorophenyl)ethane-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

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine?
The IUPAC name of 1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine (CID 5113981) is 1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine is NC(c1ccc(Cl)cc1Cl)C(N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine?
The InChIKey is UXVDOQZLEYUGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl4N2/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6,13-14H,19-20H2.
What are the key properties of 1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine?
1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine has a molecular weight of 350.08 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,4-dichlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 5113981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).