1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine

C11H13BrN2O — CID 84641080

IUPAC1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine
SMILESCOc1ccc2c(Br)c(C(C)N)[nH]c2c1
InChIInChI=1S/C11H13BrN2O/c1-6(13)11-10(12)8-4-3-7(15-2)5-9(8)14-11/h3-6,14H,13H2,1-2H3
InChIKeyLCJOYDOOWRRYKI-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.96
Rot. Bonds2

About 1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine

1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine (PubChem CID 84641080) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine
PubChem CID84641080
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine
SMILESCOc1ccc2c(Br)c(C(C)N)[nH]c2c1
InChIInChI=1S/C11H13BrN2O/c1-6(13)11-10(12)8-4-3-7(15-2)5-9(8)14-11/h3-6,14H,13H2,1-2H3
InChIKeyLCJOYDOOWRRYKI-UHFFFAOYSA-N
XLogP2.96
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6-methoxy-2-propan-2-yl-1H-indole
CID 166668036
1-(6-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine
CID 84740972
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate
CID 70508513
7-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 14381997
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine
CID 84629248
7-methoxy-1H-quinazoline-2,4-dione
CID 19604241
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984
6-methoxy-3-methyl-1H-indole-2-carbaldehyde
CID 23022136
3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one
CID 53362916
methanethione;7-methoxy-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 144820979

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine?
The IUPAC name of 1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine (CID 84641080) is 1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine is COc1ccc2c(Br)c(C(C)N)[nH]c2c1.
What is the InChIKey of 1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine?
The InChIKey is LCJOYDOOWRRYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-6(13)11-10(12)8-4-3-7(15-2)5-9(8)14-11/h3-6,14H,13H2,1-2H3.
What are the key properties of 1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine?
1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine has a molecular weight of 269.14 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 84641080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).