3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol

C10H11FN2O — CID 15551991

IUPAC3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol
SMILESNCCc1c[nH]c2ccc(O)c(F)c12
InChIInChI=1S/C10H11FN2O/c11-10-8(14)2-1-7-9(10)6(3-4-12)5-13-7/h1-2,5,13-14H,3-4,12H2
InChIKeyUKMIYFMQBNUMFY-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.51
Rot. Bonds2

About 3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol

3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol (PubChem CID 15551991) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol
PubChem CID15551991
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol
SMILESNCCc1c[nH]c2ccc(O)c(F)c12
InChIInChI=1S/C10H11FN2O/c11-10-8(14)2-1-7-9(10)6(3-4-12)5-13-7/h1-2,5,13-14H,3-4,12H2
InChIKeyUKMIYFMQBNUMFY-UHFFFAOYSA-N
XLogP1.51
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol?
The IUPAC name of 3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol (CID 15551991) is 3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol.
What is the SMILES notation for 3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol?
The canonical SMILES for 3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol is NCCc1c[nH]c2ccc(O)c(F)c12.
What is the InChIKey of 3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol?
The InChIKey is UKMIYFMQBNUMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-10-8(14)2-1-7-9(10)6(3-4-12)5-13-7/h1-2,5,13-14H,3-4,12H2.
What are the key properties of 3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol?
3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol has a molecular weight of 194.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-fluoro-1H-indol-5-ol is sourced from PubChem (CID 15551991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).