6-bromo-1-methylindol-7-amine

C9H9BrN2 — CID 117110630

IUPAC6-bromo-1-methylindol-7-amine
SMILESCn1ccc2ccc(Br)c(N)c21
InChIInChI=1S/C9H9BrN2/c1-12-5-4-6-2-3-7(10)8(11)9(6)12/h2-5H,11H2,1H3
InChIKeyJAZJEJZZGATXPB-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.52
Rot. Bonds

About 6-bromo-1-methylindol-7-amine

6-bromo-1-methylindol-7-amine (PubChem CID 117110630) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 6-bromo-1-methylindol-7-amine.

Molecular Properties

Compound Name6-bromo-1-methylindol-7-amine
PubChem CID117110630
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name6-bromo-1-methylindol-7-amine
SMILESCn1ccc2ccc(Br)c(N)c21
InChIInChI=1S/C9H9BrN2/c1-12-5-4-6-2-3-7(10)8(11)9(6)12/h2-5H,11H2,1H3
InChIKeyJAZJEJZZGATXPB-UHFFFAOYSA-N
XLogP2.52
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,7-difluoro-1-methylindol-6-amine
CID 117274554
3,6-dibromobenzene-1,2-diamine
CID 159857959
1-methylindole-7-sulfonamide
CID 67982357
6-methoxy-1-methylindole-7-sulfonamide
CID 170993279
(7-bromo-1-methylindol-5-yl)methanol
CID 139560764
8-amino-5-bromo-2-methylisoquinolin-1-one
CID 67254174
7-bromo-1H-indole;7-bromo-1-methylindole
CID 158081765
1-(1-methylindol-7-yl)ethane-1,2-diamine
CID 82404349
7-methoxy-1-methylindol-6-ol
CID 102254676
2-bromonaphthalen-1-amine
CID 10889478
7-bromo-4-fluoro-1-methylpyrrolo[3,2-c]pyridine
CID 143151628
N,N,1-trimethylbenzo[g]indol-9-amine
CID 91691308

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methylindol-7-amine?
The IUPAC name of 6-bromo-1-methylindol-7-amine (CID 117110630) is 6-bromo-1-methylindol-7-amine.
What is the SMILES notation for 6-bromo-1-methylindol-7-amine?
The canonical SMILES for 6-bromo-1-methylindol-7-amine is Cn1ccc2ccc(Br)c(N)c21.
What is the InChIKey of 6-bromo-1-methylindol-7-amine?
The InChIKey is JAZJEJZZGATXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-12-5-4-6-2-3-7(10)8(11)9(6)12/h2-5H,11H2,1H3.
What are the key properties of 6-bromo-1-methylindol-7-amine?
6-bromo-1-methylindol-7-amine has a molecular weight of 225.09 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methylindol-7-amine is sourced from PubChem (CID 117110630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).