2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol

C13H17FN2O — CID 169001095

IUPAC2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
SMILESCN(CCO)CCc1c[nH]c2cccc(F)c12
InChIInChI=1S/C13H17FN2O/c1-16(7-8-17)6-5-10-9-15-12-4-2-3-11(14)13(10)12/h2-4,9,15,17H,5-8H2,1H3
InChIKeyIKOQMHQYSLXZNM-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.77
Rot. Bonds5

About 2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol

2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol (PubChem CID 169001095) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
PubChem CID169001095
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
SMILESCN(CCO)CCc1c[nH]c2cccc(F)c12
InChIInChI=1S/C13H17FN2O/c1-16(7-8-17)6-5-10-9-15-12-4-2-3-11(14)13(10)12/h2-4,9,15,17H,5-8H2,1H3
InChIKeyIKOQMHQYSLXZNM-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

3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol
CID 172624995
2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001087
3-(2-ethylsulfanylethyl)-4-fluoro-1H-indole
CID 167475243
ethane;(4-fluoro-1H-indol-3-yl)methyl-trimethylazanium
CID 143652752
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
2-[2-(2,5-difluorophenyl)ethyl-methylamino]ethanol
CID 115216384
3-(4-fluoro-1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 139519420
3-[2-(4-fluoro-1H-indol-3-yl)ethyl]-1-(3-hydroxycyclobutyl)-1-methylurea
CID 167820299
3-[[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl]oxy]-3-oxopropanoic acid
CID 169222515
N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117194879
3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol (CID 169001095) is 2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol is CN(CCO)CCc1c[nH]c2cccc(F)c12.
What is the InChIKey of 2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol?
The InChIKey is IKOQMHQYSLXZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-16(7-8-17)6-5-10-9-15-12-4-2-3-11(14)13(10)12/h2-4,9,15,17H,5-8H2,1H3.
What are the key properties of 2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol?
2-[2-(4-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-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol is sourced from PubChem (CID 169001095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).