2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol

C13H18N2O — CID 76846651

IUPAC2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol
SMILESCCc1cccc2c(C(CO)NC)c[nH]c12
InChIInChI=1S/C13H18N2O/c1-3-9-5-4-6-10-11(7-15-13(9)10)12(8-16)14-2/h4-7,12,14-16H,3,8H2,1-2H3
InChIKeyQJYPNQDVSOIHFK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.98
Rot. Bonds4

About 2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol

2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol (PubChem CID 76846651) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol
PubChem CID76846651
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol
SMILESCCc1cccc2c(C(CO)NC)c[nH]c12
InChIInChI=1S/C13H18N2O/c1-3-9-5-4-6-10-11(7-15-13(9)10)12(8-16)14-2/h4-7,12,14-16H,3,8H2,1-2H3
InChIKeyQJYPNQDVSOIHFK-UHFFFAOYSA-N
XLogP1.98
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol?
The IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol (CID 76846651) is 2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol?
The canonical SMILES for 2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol is CCc1cccc2c(C(CO)NC)c[nH]c12.
What is the InChIKey of 2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol?
The InChIKey is QJYPNQDVSOIHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-9-5-4-6-10-11(7-15-13(9)10)12(8-16)14-2/h4-7,12,14-16H,3,8H2,1-2H3.
What are the key properties of 2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol?
2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol has a molecular weight of 218.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-1H-indol-3-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 76846651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).