1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine

C15H17IN2 — CID 66081098

IUPAC1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine
SMILESCc1cc(C)cc(N(C)c2ccc(I)cc2N)c1
InChIInChI=1S/C15H17IN2/c1-10-6-11(2)8-13(7-10)18(3)15-5-4-12(16)9-14(15)17/h4-9H,17H2,1-3H3
InChIKeyBACJMVGXXCNSSO-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.26
Rot. Bonds2

About 1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine

1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine (PubChem CID 66081098) has the molecular formula C15H17IN2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine
PubChem CID66081098
Molecular FormulaC15H17IN2
Molecular Weight352.22 g/mol
Exact Mass352.04
IUPAC Name1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine
SMILESCc1cc(C)cc(N(C)c2ccc(I)cc2N)c1
InChIInChI=1S/C15H17IN2/c1-10-6-11(2)8-13(7-10)18(3)15-5-4-12(16)9-14(15)17/h4-9H,17H2,1-3H3
InChIKeyBACJMVGXXCNSSO-UHFFFAOYSA-N
XLogP4.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.26
H-Bond Donors ≤ 51
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-(3,5-dimethylphenyl)-1-N,4-dimethylbenzene-1,2-diamine
CID 62003537
3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine
CID 55146231
1-N-(3,5-dimethylphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 62002994
4-iodo-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 66065655
4-iodo-1-N-methyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 66064700
2,3-difluoro-4-(N,3,5-trimethylanilino)benzenecarbothioamide
CID 107934870
4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine
CID 66065676
4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
CID 131048738
4-iodo-1-N-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 79849719
3-N-(3,5-dimethylphenyl)-3-N-methyl-2-nitrobenzene-1,3-diamine
CID 80817426
1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 66064711
2-N-(3,5-dimethylphenyl)-2-N-methylpyridine-2,3-diamine
CID 55207910

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine (CID 66081098) is 1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine is Cc1cc(C)cc(N(C)c2ccc(I)cc2N)c1.
What is the InChIKey of 1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine?
The InChIKey is BACJMVGXXCNSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2/c1-10-6-11(2)8-13(7-10)18(3)15-5-4-12(16)9-14(15)17/h4-9H,17H2,1-3H3.
What are the key properties of 1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine?
1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine has a molecular weight of 352.22 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 66081098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).