N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine

C11H17IN2 — CID 130497985

IUPACN-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(I)cc1NCCN(C)C
InChIInChI=1S/C11H17IN2/c1-9-4-5-10(12)8-11(9)13-6-7-14(2)3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyDEIRSMFHZSOXFS-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.57
Rot. Bonds4

About N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine

N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 130497985) has the molecular formula C11H17IN2 and a molecular weight of 304.18 g/mol. Its IUPAC name is N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID130497985
Molecular FormulaC11H17IN2
Molecular Weight304.18 g/mol
Exact Mass304.04
IUPAC NameN-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(I)cc1NCCN(C)C
InChIInChI=1S/C11H17IN2/c1-9-4-5-10(12)8-11(9)13-6-7-14(2)3/h4-5,8,13H,6-7H2,1-3H3
InChIKeyDEIRSMFHZSOXFS-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-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-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28585840
N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28582966
N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28562912
1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine
CID 66095990
N-(2-fluoro-5-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28877671
N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
CID 3021697
N-(2,4-difluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 23540138
N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225107
4-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109207345
3-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzene-1,3-diamine
CID 62977758
6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857450
6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112857443

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine (CID 130497985) is N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine is Cc1ccc(I)cc1NCCN(C)C.
What is the InChIKey of N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is DEIRSMFHZSOXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2/c1-9-4-5-10(12)8-11(9)13-6-7-14(2)3/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 304.18 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 130497985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).