2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine

C11H13BrN2O — CID 91137959

IUPAC2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine
SMILESCOc1cc(Br)c2[nH]cc(CCN)c2c1
InChIInChI=1S/C11H13BrN2O/c1-15-8-4-9-7(2-3-13)6-14-11(9)10(12)5-8/h4-6,14H,2-3,13H2,1H3
InChIKeyLOHYLGIFQSUJDS-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.44
Rot. Bonds3

About 2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine

2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine (PubChem CID 91137959) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine
PubChem CID91137959
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine
SMILESCOc1cc(Br)c2[nH]cc(CCN)c2c1
InChIInChI=1S/C11H13BrN2O/c1-15-8-4-9-7(2-3-13)6-14-11(9)10(12)5-8/h4-6,14H,2-3,13H2,1H3
InChIKeyLOHYLGIFQSUJDS-UHFFFAOYSA-N
XLogP2.44
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine (CID 91137959) is 2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine is COc1cc(Br)c2[nH]cc(CCN)c2c1.
What is the InChIKey of 2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine?
The InChIKey is LOHYLGIFQSUJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-15-8-4-9-7(2-3-13)6-14-11(9)10(12)5-8/h4-6,14H,2-3,13H2,1H3.
What are the key properties of 2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine?
2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine has a molecular weight of 269.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-5-methoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 91137959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).