4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine

C12H11Cl2N3 — CID 106750347

IUPAC4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine
SMILESNc1ccc(Nc2cccc(Cl)c2Cl)cc1N
InChIInChI=1S/C12H11Cl2N3/c13-8-2-1-3-11(12(8)14)17-7-4-5-9(15)10(16)6-7/h1-6,17H,15-16H2
InChIKeyYUDULURFXOLAKF-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.90
Rot. Bonds2

About 4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine

4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine (PubChem CID 106750347) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine
PubChem CID106750347
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine
SMILESNc1ccc(Nc2cccc(Cl)c2Cl)cc1N
InChIInChI=1S/C12H11Cl2N3/c13-8-2-1-3-11(12(8)14)17-7-4-5-9(15)10(16)6-7/h1-6,17H,15-16H2
InChIKeyYUDULURFXOLAKF-UHFFFAOYSA-N
XLogP3.90
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
CID 4764118
2-amino-5-(2,3-dichloroanilino)benzoic acid
CID 54888225
2,3-dichloro-N-(3,4-difluorophenyl)aniline
CID 82536860
ethyl 2-amino-5-(2,3-dichloroanilino)benzoate
CID 63425312
4-bromo-2-N-(2,3-dichlorophenyl)benzene-1,2-diamine
CID 65343667
2,3-dichloro-N-(4-phenylphenyl)aniline
CID 162720595
4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine
CID 114258531
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
6-chloro-2-N-(2,3-dichlorophenyl)pyridine-2,3-diamine
CID 115473651
2,3-dichloro-N-(2,6-dichlorophenyl)aniline
CID 101290103
4-N-(4-anilinophenyl)benzene-1,2,4-triamine
CID 57184309
4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
CID 103000343

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine (CID 106750347) is 4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine is Nc1ccc(Nc2cccc(Cl)c2Cl)cc1N.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine?
The InChIKey is YUDULURFXOLAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c13-8-2-1-3-11(12(8)14)17-7-4-5-9(15)10(16)6-7/h1-6,17H,15-16H2.
What are the key properties of 4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine?
4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine has a molecular weight of 268.15 g/mol, XLogP of 3.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine is sourced from PubChem (CID 106750347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).