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

C11H13BrN2 — CID 84634871

IUPAC1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine
SMILESCc1ccc2c(Br)c(C(C)N)[nH]c2c1
InChIInChI=1S/C11H13BrN2/c1-6-3-4-8-9(5-6)14-11(7(2)13)10(8)12/h3-5,7,14H,13H2,1-2H3
InChIKeyFIPPSYNVNMSJJV-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.26
Rot. Bonds1

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

1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine (PubChem CID 84634871) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine
PubChem CID84634871
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine
SMILESCc1ccc2c(Br)c(C(C)N)[nH]c2c1
InChIInChI=1S/C11H13BrN2/c1-6-3-4-8-9(5-6)14-11(7(2)13)10(8)12/h3-5,7,14H,13H2,1-2H3
InChIKeyFIPPSYNVNMSJJV-UHFFFAOYSA-N
XLogP3.26
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine
CID 84641080
(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine
CID 82759015
2-methyl-7-propan-2-yl-9H-carbazole
CID 70868316
2-bromo-3,6-dimethyl-1H-indole;carbon dioxide
CID 158710604
3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole
CID 84642527
(2,6-dimethyl-1H-indol-3-yl)methanamine
CID 82411351
1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine
CID 84629248
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine
CID 82023991
7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione
CID 117262976
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine?
The IUPAC name of 1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine (CID 84634871) is 1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine is Cc1ccc2c(Br)c(C(C)N)[nH]c2c1.
What is the InChIKey of 1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine?
The InChIKey is FIPPSYNVNMSJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-6-3-4-8-9(5-6)14-11(7(2)13)10(8)12/h3-5,7,14H,13H2,1-2H3.
What are the key properties of 1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine?
1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine has a molecular weight of 253.14 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-6-methyl-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 84634871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).