2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine

C10H15IN2 — CID 103388462

IUPAC2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine
SMILESCc1cc(I)ccc1NC(C)CN
InChIInChI=1S/C10H15IN2/c1-7-5-9(11)3-4-10(7)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3
InChIKeyRVIMAZSMMUQBEW-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.36
Rot. Bonds3

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

2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine (PubChem CID 103388462) has the molecular formula C10H15IN2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine
PubChem CID103388462
Molecular FormulaC10H15IN2
Molecular Weight290.15 g/mol
Exact Mass290.03
IUPAC Name2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine
SMILESCc1cc(I)ccc1NC(C)CN
InChIInChI=1S/C10H15IN2/c1-7-5-9(11)3-4-10(7)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3
InChIKeyRVIMAZSMMUQBEW-UHFFFAOYSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-(4-iodo-2-methylphenyl)propane-1,2-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

N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline
CID 115929993
1-N-(1-aminopropan-2-yl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 103388013
4-(1-aminopropan-2-ylamino)-3-methylbenzonitrile
CID 63733387
4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43717102
2-(4-iodo-2-methylanilino)propanoic acid
CID 66173319
4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 81075652
4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol
CID 106954059
4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43717065
4-iodo-2-methyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43717026
2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine
CID 103388458
N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 43717020
3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
CID 106111632

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine (CID 103388462) is 2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine is Cc1cc(I)ccc1NC(C)CN.
What is the InChIKey of 2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine?
The InChIKey is RVIMAZSMMUQBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2/c1-7-5-9(11)3-4-10(7)13-8(2)6-12/h3-5,8,13H,6,12H2,1-2H3.
What are the key properties of 2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine?
2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine has a molecular weight of 290.15 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 103388462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).