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

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Related Compounds

2,4-Dichlorophenethylamine
CID 142938
2,4-Dichlorobenzylamine
CID 1485
(S)-(-)-1-(4-chlorophenyl)ethylamine
CID 1550852
1-(2,4-Dichlorophenyl)Ethylamine
CID 2771858
1-(4-Chlorophenyl)ethylamine
CID 97803
(1R)-1-(4-chlorophenyl)ethan-1-amine
CID 1715226
1-(2-Chlorophenyl)ethanamine
CID 299767
(4-Chlorophenyl)(phenyl)methanamine
CID 409810
1-(2,4-Dichloro-5-fluorophenyl)ethan-1-amine
CID 3833141
1-(4-Chlorophenyl)propan-1-amine
CID 12622928
2'-Chlorobiphenyl-2-methylamine
CID 1393052
2-(4-Chlorophenyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)
CID 3052629

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).