1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine

C14H15IN2 — CID 114256964

IUPAC1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1Nc1cccc(I)c1C
InChIInChI=1S/C14H15IN2/c1-9-8-11(16)6-7-13(9)17-14-5-3-4-12(15)10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyCKHISXRTEXZSMO-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.23
Rot. Bonds2

About 1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine

1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine (PubChem CID 114256964) has the molecular formula C14H15IN2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine
PubChem CID114256964
Molecular FormulaC14H15IN2
Molecular Weight338.19 g/mol
Exact Mass338.03
IUPAC Name1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1Nc1cccc(I)c1C
InChIInChI=1S/C14H15IN2/c1-9-8-11(16)6-7-13(9)17-14-5-3-4-12(15)10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyCKHISXRTEXZSMO-UHFFFAOYSA-N
XLogP4.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.23
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'}

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Related Compounds

1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine
CID 107634251
1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43165593
2-methyl-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 43165599
(3-iodo-2-methylphenyl)hydrazine
CID 130164632
1-N-iodo-2-methylbenzene-1,4-diamine
CID 163574989
1-N-(3-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43165595
1-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43165590
1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine
CID 43616859
1-N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzene-1,4-diamine
CID 114001530
N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide
CID 103807583
1-N-(2-iodophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402341
4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine
CID 103000338

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine (CID 114256964) is 1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine is Cc1cc(N)ccc1Nc1cccc(I)c1C.
What is the InChIKey of 1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine?
The InChIKey is CKHISXRTEXZSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2/c1-9-8-11(16)6-7-13(9)17-14-5-3-4-12(15)10(14)2/h3-8,17H,16H2,1-2H3.
What are the key properties of 1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine?
1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine has a molecular weight of 338.19 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-iodo-2-methylphenyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 114256964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).