2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine

C11H13BrN2 — CID 130048518

IUPAC2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine
SMILESCc1cc2c(CCN)ccc(Br)c2[nH]1
InChIInChI=1S/C11H13BrN2/c1-7-6-9-8(4-5-13)2-3-10(12)11(9)14-7/h2-3,6,14H,4-5,13H2,1H3
InChIKeyOOASPODKSCMMCZ-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.74
Rot. Bonds2

About 2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine

2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine (PubChem CID 130048518) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine
PubChem CID130048518
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine
SMILESCc1cc2c(CCN)ccc(Br)c2[nH]1
InChIInChI=1S/C11H13BrN2/c1-7-6-9-8(4-5-13)2-3-10(12)11(9)14-7/h2-3,6,14H,4-5,13H2,1H3
InChIKeyOOASPODKSCMMCZ-UHFFFAOYSA-N
XLogP2.74
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine?
The IUPAC name of 2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine (CID 130048518) is 2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine.
What is the SMILES notation for 2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine?
The canonical SMILES for 2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine is Cc1cc2c(CCN)ccc(Br)c2[nH]1.
What is the InChIKey of 2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine?
The InChIKey is OOASPODKSCMMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-7-6-9-8(4-5-13)2-3-10(12)11(9)14-7/h2-3,6,14H,4-5,13H2,1H3.
What are the key properties of 2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine?
2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine has a molecular weight of 253.14 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine is sourced from PubChem (CID 130048518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).