1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol

C11H13BrN2O — CID 82277649

IUPAC1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H13BrN2O/c1-13-6-11(15)9-5-14-10-4-7(12)2-3-8(9)10/h2-5,11,13-15H,6H2,1H3
InChIKeyKGSFNFIIDKSWHU-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.18
Rot. Bonds3

About 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol

1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol (PubChem CID 82277649) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol
PubChem CID82277649
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H13BrN2O/c1-13-6-11(15)9-5-14-10-4-7(12)2-3-8(9)10/h2-5,11,13-15H,6H2,1H3
InChIKeyKGSFNFIIDKSWHU-UHFFFAOYSA-N
XLogP2.18
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol
CID 170829404
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929
2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile
CID 10422893
(1S)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758444
(1R)-1-(6-methyl-1H-indol-3-yl)propan-1-ol
CID 82758344
1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol
CID 117460897
2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine
CID 84642871
4-amino-3-(6-bromo-1H-indol-3-yl)butanoic acid
CID 165476099
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
ethyl 2-(6-bromo-1H-indol-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetate
CID 134971955
1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 162765726
1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84642540

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol (CID 82277649) is 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol is CNCC(O)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol?
The InChIKey is KGSFNFIIDKSWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-13-6-11(15)9-5-14-10-4-7(12)2-3-8(9)10/h2-5,11,13-15H,6H2,1H3.
What are the key properties of 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol?
1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol has a molecular weight of 269.14 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 82277649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).