4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine

C11H15IN2 — CID 131048738

IUPAC4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
SMILESC=C(C)CN(C)c1ccc(I)cc1N
InChIInChI=1S/C11H15IN2/c1-8(2)7-14(3)11-5-4-9(12)6-10(11)13/h4-6H,1,7,13H2,2-3H3
InChIKeyOXXZFYTYMHCZEK-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.89
Rot. Bonds3

About 4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine

4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine (PubChem CID 131048738) has the molecular formula C11H15IN2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
PubChem CID131048738
Molecular FormulaC11H15IN2
Molecular Weight302.16 g/mol
Exact Mass302.03
IUPAC Name4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
SMILESC=C(C)CN(C)c1ccc(I)cc1N
InChIInChI=1S/C11H15IN2/c1-8(2)7-14(3)11-5-4-9(12)6-10(11)13/h4-6H,1,7,13H2,2-3H3
InChIKeyOXXZFYTYMHCZEK-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.89
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine
CID 66065676
4-iodo-1-N-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 79849719
4-iodo-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 66065655
1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine
CID 66063936
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-iodo-1-N-methylbenzene-1,2-diamine
CID 105414091
4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine
CID 130933659
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-(2-methylprop-2-enyl)aniline
CID 104868601
1-N-(3,5-dimethylphenyl)-4-iodo-1-N-methylbenzene-1,2-diamine
CID 66081098
2-chloro-N-methyl-N-(2-methylprop-2-enyl)-4-nitroaniline
CID 133439166
3-[methyl(2-methylprop-2-enyl)amino]-2-nitrobenzenesulfonamide
CID 75506053
2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline
CID 104868604
1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 66064711

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine?
The IUPAC name of 4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine (CID 131048738) is 4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine.
What is the SMILES notation for 4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine?
The canonical SMILES for 4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine is C=C(C)CN(C)c1ccc(I)cc1N.
What is the InChIKey of 4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine?
The InChIKey is OXXZFYTYMHCZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2/c1-8(2)7-14(3)11-5-4-9(12)6-10(11)13/h4-6H,1,7,13H2,2-3H3.
What are the key properties of 4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine?
4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine has a molecular weight of 302.16 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine is sourced from PubChem (CID 131048738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).