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

C14H13Cl3N2 — CID 54806440

IUPACN'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine
SMILESClc1ccc(NCCNc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H13Cl3N2/c15-11-6-5-10(9-13(11)17)18-7-8-19-14-4-2-1-3-12(14)16/h1-6,9,18-19H,7-8H2
InChIKeyDOCVGBDYJJSNQB-UHFFFAOYSA-N
MW315.63 g/mol
LogP5.17
Rot. Bonds5

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

N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine (PubChem CID 54806440) has the molecular formula C14H13Cl3N2 and a molecular weight of 315.63 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine
PubChem CID54806440
Molecular FormulaC14H13Cl3N2
Molecular Weight315.63 g/mol
Exact Mass314.01
IUPAC NameN'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine
SMILESClc1ccc(NCCNc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H13Cl3N2/c15-11-6-5-10(9-13(11)17)18-7-8-19-14-4-2-1-3-12(14)16/h1-6,9,18-19H,7-8H2
InChIKeyDOCVGBDYJJSNQB-UHFFFAOYSA-N
XLogP5.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.63
LogP ≤ 55.17
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-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine
CID 54809574
3,4-dichloro-N-(3-fluoropropyl)aniline
CID 81106053
N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine
CID 54805609
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427
N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981
2-chloro-N-(4,4,4-trifluorobutyl)aniline
CID 115513479
N-benzyl-N'-(3,4-dichlorophenyl)propane-1,3-diamine
CID 70963511
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54805983
N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805653
N'-(2-chlorophenyl)-N-[3-(3-methylbutoxy)phenyl]ethane-1,2-diamine
CID 54806534
N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 54806465

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine (CID 54806440) is N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine is Clc1ccc(NCCNc2ccccc2Cl)cc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine?
The InChIKey is DOCVGBDYJJSNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2/c15-11-6-5-10(9-13(11)17)18-7-8-19-14-4-2-1-3-12(14)16/h1-6,9,18-19H,7-8H2.
What are the key properties of N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine?
N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine has a molecular weight of 315.63 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).