1-(1-ethylindol-3-yl)-2-(methylamino)ethanol

C13H18N2O — CID 21215

IUPAC1-(1-ethylindol-3-yl)-2-(methylamino)ethanol
SMILESCCn1cc(C(O)CNC)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-15-9-11(13(16)8-14-2)10-6-4-5-7-12(10)15/h4-7,9,13-14,16H,3,8H2,1-2H3
InChIKeyVVSPHTVFNGUXSK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.91
Rot. Bonds4

About 1-(1-ethylindol-3-yl)-2-(methylamino)ethanol

1-(1-ethylindol-3-yl)-2-(methylamino)ethanol (PubChem CID 21215) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1-ethylindol-3-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(1-ethylindol-3-yl)-2-(methylamino)ethanol
PubChem CID21215
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(1-ethylindol-3-yl)-2-(methylamino)ethanol
SMILESCCn1cc(C(O)CNC)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-15-9-11(13(16)8-14-2)10-6-4-5-7-12(10)15/h4-7,9,13-14,16H,3,8H2,1-2H3
InChIKeyVVSPHTVFNGUXSK-UHFFFAOYSA-N
XLogP1.91
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-3-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(1-ethylindol-3-yl)-2-(methylamino)ethanol (CID 21215) is 1-(1-ethylindol-3-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(1-ethylindol-3-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(1-ethylindol-3-yl)-2-(methylamino)ethanol is CCn1cc(C(O)CNC)c2ccccc21.
What is the InChIKey of 1-(1-ethylindol-3-yl)-2-(methylamino)ethanol?
The InChIKey is VVSPHTVFNGUXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-15-9-11(13(16)8-14-2)10-6-4-5-7-12(10)15/h4-7,9,13-14,16H,3,8H2,1-2H3.
What are the key properties of 1-(1-ethylindol-3-yl)-2-(methylamino)ethanol?
1-(1-ethylindol-3-yl)-2-(methylamino)ethanol has a molecular weight of 218.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-3-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 21215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).