1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine

C13H12ClIN2 — CID 107634251

IUPAC1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H12ClIN2/c1-8-6-10(16)3-5-12(8)17-13-4-2-9(14)7-11(13)15/h2-7,17H,16H2,1H3
InChIKeyCEVPRBVJAGIEEU-UHFFFAOYSA-N
MW358.61 g/mol
LogP4.58
Rot. Bonds2

About 1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine

1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine (PubChem CID 107634251) has the molecular formula C13H12ClIN2 and a molecular weight of 358.61 g/mol. Its IUPAC name is 1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine
PubChem CID107634251
Molecular FormulaC13H12ClIN2
Molecular Weight358.61 g/mol
Exact Mass357.97
IUPAC Name1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H12ClIN2/c1-8-6-10(16)3-5-12(8)17-13-4-2-9(14)7-11(13)15/h2-7,17H,16H2,1H3
InChIKeyCEVPRBVJAGIEEU-UHFFFAOYSA-N
XLogP4.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-amino-2-(4-chloro-2-iodoanilino)benzoate
CID 107637817
2-(4-amino-2-methylanilino)-4-chlorobenzonitrile
CID 64914595
1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine
CID 114256964
N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide
CID 103807582
1-N-(2-bromo-5-chloro-4-methylphenyl)-2-iodobenzene-1,4-diamine
CID 113445347
1-N-(5-chloro-2-methylphenyl)benzene-1,2,4-triamine
CID 54794972
2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine
CID 107634143
1-N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzene-1,4-diamine
CID 114001530
1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43165593
4-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine
CID 107634128
1-N-iodo-2-methylbenzene-1,4-diamine
CID 163574989
4-chloro-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 115468556

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine (CID 107634251) is 1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine is Cc1cc(N)ccc1Nc1ccc(Cl)cc1I.
What is the InChIKey of 1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine?
The InChIKey is CEVPRBVJAGIEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2/c1-8-6-10(16)3-5-12(8)17-13-4-2-9(14)7-11(13)15/h2-7,17H,16H2,1H3.
What are the key properties of 1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine?
1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine has a molecular weight of 358.61 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 107634251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).