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

C14H12Cl4N2 — CID 54806246

IUPACN-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine
SMILESClc1ccc(NCCNc2cccc(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl4N2/c15-9-4-5-12(11(17)8-9)19-6-7-20-13-3-1-2-10(16)14(13)18/h1-5,8,19-20H,6-7H2
InChIKeyCCIYTLDEOVABBX-UHFFFAOYSA-N
MW350.08 g/mol
LogP5.82
Rot. Bonds5

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

N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine (PubChem CID 54806246) has the molecular formula C14H12Cl4N2 and a molecular weight of 350.08 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine
PubChem CID54806246
Molecular FormulaC14H12Cl4N2
Molecular Weight350.08 g/mol
Exact Mass347.98
IUPAC NameN-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine
SMILESClc1ccc(NCCNc2cccc(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl4N2/c15-9-4-5-12(11(17)8-9)19-6-7-20-13-3-1-2-10(16)14(13)18/h1-5,8,19-20H,6-7H2
InChIKeyCCIYTLDEOVABBX-UHFFFAOYSA-N
XLogP5.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.08
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-N'-(2,5-dichlorophenyl)ethane-1,2-diamine
CID 54809670
N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 54806465
2,3-dichloro-N-pent-3-ynylaniline
CID 104744100
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
3-(2,3-dichloroanilino)propanenitrile
CID 39243546
2,3-dichloro-N-(3-fluoropropyl)aniline
CID 81106558
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 66159868
2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline
CID 54795871
N-(5-bromopentyl)-2,4-dichloroaniline
CID 10804944
2,4-dichloro-N-decylaniline
CID 63489638
2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline
CID 54806085

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine (CID 54806246) is N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine is Clc1ccc(NCCNc2cccc(Cl)c2Cl)c(Cl)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine?
The InChIKey is CCIYTLDEOVABBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl4N2/c15-9-4-5-12(11(17)8-9)19-6-7-20-13-3-1-2-10(16)14(13)18/h1-5,8,19-20H,6-7H2.
What are the key properties of N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine?
N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine has a molecular weight of 350.08 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).