2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine

C12H15BrN2 — CID 83488858

IUPAC2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine
SMILESCc1c(CCN)n(C)c2cc(Br)ccc12
InChIInChI=1S/C12H15BrN2/c1-8-10-4-3-9(13)7-12(10)15(2)11(8)5-6-14/h3-4,7H,5-6,14H2,1-2H3
InChIKeyPNBBWGGWXRQPQM-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.75
Rot. Bonds2

About 2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine

2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine (PubChem CID 83488858) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine
PubChem CID83488858
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine
SMILESCc1c(CCN)n(C)c2cc(Br)ccc12
InChIInChI=1S/C12H15BrN2/c1-8-10-4-3-9(13)7-12(10)15(2)11(8)5-6-14/h3-4,7H,5-6,14H2,1-2H3
InChIKeyPNBBWGGWXRQPQM-UHFFFAOYSA-N
XLogP2.75
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine
CID 84623642
2,7-dibromo-9-methylcarbazole
CID 11851387
(6-chloro-1,3-dimethylindol-2-yl)methanamine
CID 84621214
2-(1,2,3-trimethylindol-6-yl)ethanamine
CID 82397040
3-(6-bromo-1,2-dimethylindol-3-yl)-3-methylbutan-1-amine
CID 84645259
1-(5-bromo-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83866982
2-(5-bromo-1-methylindol-3-yl)ethanamine
CID 71560076
2-[5-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanamine
CID 84645821
2-(6-bromo-1,2-dimethylindol-3-yl)-N,2-dimethylpropan-1-amine
CID 84645258
7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one
CID 83903533
2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine
CID 83919995
2-(5-bromo-3-methyl-1-benzothiophen-2-yl)ethanamine
CID 84743109

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine?
The IUPAC name of 2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine (CID 83488858) is 2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine.
What is the SMILES notation for 2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine?
The canonical SMILES for 2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine is Cc1c(CCN)n(C)c2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine?
The InChIKey is PNBBWGGWXRQPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-8-10-4-3-9(13)7-12(10)15(2)11(8)5-6-14/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine?
2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine has a molecular weight of 267.17 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1,3-dimethylindol-2-yl)ethanamine is sourced from PubChem (CID 83488858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).