1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine

C10H16IN3 — CID 66095990

IUPAC1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine
SMILESCN(C)CCNc1ccc(N)cc1I
InChIInChI=1S/C10H16IN3/c1-14(2)6-5-13-10-4-3-8(12)7-9(10)11/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyQSBWICFHQGCJHK-UHFFFAOYSA-N
MW305.16 g/mol
LogP1.85
Rot. Bonds4

About 1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine

1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine (PubChem CID 66095990) has the molecular formula C10H16IN3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine
PubChem CID66095990
Molecular FormulaC10H16IN3
Molecular Weight305.16 g/mol
Exact Mass305.04
IUPAC Name1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine
SMILESCN(C)CCNc1ccc(N)cc1I
InChIInChI=1S/C10H16IN3/c1-14(2)6-5-13-10-4-3-8(12)7-9(10)11/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyQSBWICFHQGCJHK-UHFFFAOYSA-N
XLogP1.85
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide
CID 66092727
1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine
CID 90053317
2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763208
2-iodo-1-N-prop-2-enylbenzene-1,4-diamine
CID 66094796
3-(4-amino-2-iodoanilino)-N-methylpropanamide
CID 66092939
1-N-(2,2-dimethylbutyl)-2-iodobenzene-1,4-diamine
CID 103460116
3-(4-amino-2-iodoanilino)propane-1-sulfonamide
CID 66093146
4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol
CID 106243071
N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 130497985
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine
CID 90053318
2-iodo-1-N-(3-methylbut-2-enyl)benzene-1,4-diamine
CID 106182064
1-N-[3-(dimethylamino)propyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935518

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine (CID 66095990) is 1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine is CN(C)CCNc1ccc(N)cc1I.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine?
The InChIKey is QSBWICFHQGCJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3/c1-14(2)6-5-13-10-4-3-8(12)7-9(10)11/h3-4,7,13H,5-6,12H2,1-2H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine?
1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine has a molecular weight of 305.16 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine is sourced from PubChem (CID 66095990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).