2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol

C11H13FN2O — CID 82278863

IUPAC2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)CN)c2cc(F)ccc21
InChIInChI=1S/C11H13FN2O/c1-14-6-9(11(15)5-13)8-4-7(12)2-3-10(8)14/h2-4,6,11,15H,5,13H2,1H3
InChIKeyOMGNOPIIMWQKPE-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.31
Rot. Bonds2

About 2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol

2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol (PubChem CID 82278863) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol
PubChem CID82278863
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)CN)c2cc(F)ccc21
InChIInChI=1S/C11H13FN2O/c1-14-6-9(11(15)5-13)8-4-7(12)2-3-10(8)14/h2-4,6,11,15H,5,13H2,1H3
InChIKeyOMGNOPIIMWQKPE-UHFFFAOYSA-N
XLogP1.31
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol (CID 82278863) is 2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol is Cn1cc(C(O)CN)c2cc(F)ccc21.
What is the InChIKey of 2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol?
The InChIKey is OMGNOPIIMWQKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-14-6-9(11(15)5-13)8-4-7(12)2-3-10(8)14/h2-4,6,11,15H,5,13H2,1H3.
What are the key properties of 2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol?
2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol has a molecular weight of 208.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol is sourced from PubChem (CID 82278863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).