4-iodo-N-methyl-1H-indol-7-amine

C9H9IN2 — CID 141354037

IUPAC4-iodo-N-methyl-1H-indol-7-amine
SMILESCNc1ccc(I)c2cc[nH]c12
InChIInChI=1S/C9H9IN2/c1-11-8-3-2-7(10)6-4-5-12-9(6)8/h2-5,11-12H,1H3
InChIKeyQNKDQOGCZCGCEW-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.81
Rot. Bonds1

About 4-iodo-N-methyl-1H-indol-7-amine

4-iodo-N-methyl-1H-indol-7-amine (PubChem CID 141354037) has the molecular formula C9H9IN2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 4-iodo-N-methyl-1H-indol-7-amine.

Molecular Properties

Compound Name4-iodo-N-methyl-1H-indol-7-amine
PubChem CID141354037
Molecular FormulaC9H9IN2
Molecular Weight272.09 g/mol
Exact Mass271.98
IUPAC Name4-iodo-N-methyl-1H-indol-7-amine
SMILESCNc1ccc(I)c2cc[nH]c12
InChIInChI=1S/C9H9IN2/c1-11-8-3-2-7(10)6-4-5-12-9(6)8/h2-5,11-12H,1H3
InChIKeyQNKDQOGCZCGCEW-UHFFFAOYSA-N
XLogP2.81
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-7-methyl-1H-indole
CID 53399314
N-methyl-1H-indol-4-amine;hydrochloride
CID 174419140
6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane
CID 171076946
N-(7-bromo-1H-indol-4-yl)acetamide
CID 59051707
5-iodo-1H-indol-4-ol
CID 15979130
5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one
CID 163616268
4,5-diiodo-1H-pyrrolo[2,3-b]pyridine
CID 129093662
2-iodo-4-methoxy-N-methylaniline
CID 11010799
5-fluoro-N-methyl-1H-pyrrolo[2,3-c]pyridin-4-amine
CID 167269509
3-[(4-methyl-1H-indol-7-yl)amino]sulfanylbenzonitrile
CID 139366366
ethane;4,5,6,7-tetrafluoro-1H-indole
CID 142246490
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-methyl-1H-indol-7-amine?
The IUPAC name of 4-iodo-N-methyl-1H-indol-7-amine (CID 141354037) is 4-iodo-N-methyl-1H-indol-7-amine.
What is the SMILES notation for 4-iodo-N-methyl-1H-indol-7-amine?
The canonical SMILES for 4-iodo-N-methyl-1H-indol-7-amine is CNc1ccc(I)c2cc[nH]c12.
What is the InChIKey of 4-iodo-N-methyl-1H-indol-7-amine?
The InChIKey is QNKDQOGCZCGCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2/c1-11-8-3-2-7(10)6-4-5-12-9(6)8/h2-5,11-12H,1H3.
What are the key properties of 4-iodo-N-methyl-1H-indol-7-amine?
4-iodo-N-methyl-1H-indol-7-amine has a molecular weight of 272.09 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-methyl-1H-indol-7-amine is sourced from PubChem (CID 141354037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).