2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol

C13H17FN2O — CID 169001087

IUPAC2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
SMILESCN(CCO)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H17FN2O/c1-16(6-7-17)5-4-10-9-15-13-3-2-11(14)8-12(10)13/h2-3,8-9,15,17H,4-7H2,1H3
InChIKeyGDDDBDBVFPBFOJ-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.77
Rot. Bonds5

About 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol

2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol (PubChem CID 169001087) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
PubChem CID169001087
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
SMILESCN(CCO)CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H17FN2O/c1-16(6-7-17)5-4-10-9-15-13-3-2-11(14)8-12(10)13/h2-3,8-9,15,17H,4-7H2,1H3
InChIKeyGDDDBDBVFPBFOJ-UHFFFAOYSA-N
XLogP1.77
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine
CID 166158013
N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine
CID 167205055
2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001095
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
2,2-difluoro-N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]ethanamine
CID 172624964
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol (CID 169001087) is 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol is CN(CCO)CCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol?
The InChIKey is GDDDBDBVFPBFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-16(6-7-17)5-4-10-9-15-13-3-2-11(14)8-12(10)13/h2-3,8-9,15,17H,4-7H2,1H3.
What are the key properties of 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol?
2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol has a molecular weight of 236.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol is sourced from PubChem (CID 169001087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).