2-amino-1-(7-bromo-1H-indol-3-yl)ethanol

C10H11BrN2O — CID 76846683

IUPAC2-amino-1-(7-bromo-1H-indol-3-yl)ethanol
SMILESNCC(O)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C10H11BrN2O/c11-8-3-1-2-6-7(9(14)4-12)5-13-10(6)8/h1-3,5,9,13-14H,4,12H2
InChIKeyHARBJYXAVQFXBI-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.92
Rot. Bonds2

About 2-amino-1-(7-bromo-1H-indol-3-yl)ethanol

2-amino-1-(7-bromo-1H-indol-3-yl)ethanol (PubChem CID 76846683) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is 2-amino-1-(7-bromo-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(7-bromo-1H-indol-3-yl)ethanol
PubChem CID76846683
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name2-amino-1-(7-bromo-1H-indol-3-yl)ethanol
SMILESNCC(O)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C10H11BrN2O/c11-8-3-1-2-6-7(9(14)4-12)5-13-10(6)8/h1-3,5,9,13-14H,4,12H2
InChIKeyHARBJYXAVQFXBI-UHFFFAOYSA-N
XLogP1.92
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-bromo-1H-indol-3-yl)propan-1-amine
CID 76846624
7-bromo-3-propan-2-yl-1H-indole
CID 106985591
7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole
CID 175467087
7-bromo-3-(2-methylpentan-3-yl)-1H-indole
CID 106985203
7-bromo-3-pentan-2-yl-1H-indole
CID 106985623
4-amino-1-(7-methyl-1H-indol-3-yl)butan-1-ol
CID 76846681
(1R)-2-amino-1-(2,3-dibromophenyl)ethanol
CID 54407818
[1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine
CID 82501566
7-bromo-1H-indole-3-carbothioamide
CID 171775732
3-amino-4-(7-bromo-1H-indol-3-yl)but-1-en-2-ol
CID 145142405
1-(7-bromo-1H-indol-3-yl)-2-chloroethanone
CID 28806672
[(2S)-3-(7-bromo-1H-indol-3-yl)-1-ethoxy-1-oxopropan-2-yl]azanium bromide
CID 160805144

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-bromo-1H-indol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(7-bromo-1H-indol-3-yl)ethanol (CID 76846683) is 2-amino-1-(7-bromo-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(7-bromo-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(7-bromo-1H-indol-3-yl)ethanol is NCC(O)c1c[nH]c2c(Br)cccc12.
What is the InChIKey of 2-amino-1-(7-bromo-1H-indol-3-yl)ethanol?
The InChIKey is HARBJYXAVQFXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-8-3-1-2-6-7(9(14)4-12)5-13-10(6)8/h1-3,5,9,13-14H,4,12H2.
What are the key properties of 2-amino-1-(7-bromo-1H-indol-3-yl)ethanol?
2-amino-1-(7-bromo-1H-indol-3-yl)ethanol has a molecular weight of 255.12 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-bromo-1H-indol-3-yl)ethanol is sourced from PubChem (CID 76846683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).