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

C13H18N2O — CID 20729409

IUPAC2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol
SMILESCN(CCO)CCc1cccc2cc[nH]c12
InChIInChI=1S/C13H18N2O/c1-15(9-10-16)8-6-12-4-2-3-11-5-7-14-13(11)12/h2-5,7,14,16H,6,8-10H2,1H3
InChIKeyPDNTUWQJUWXZGS-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.63
Rot. Bonds5

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

2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol (PubChem CID 20729409) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol
PubChem CID20729409
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol
SMILESCN(CCO)CCc1cccc2cc[nH]c12
InChIInChI=1S/C13H18N2O/c1-15(9-10-16)8-6-12-4-2-3-11-5-7-14-13(11)12/h2-5,7,14,16H,6,8-10H2,1H3
InChIKeyPDNTUWQJUWXZGS-UHFFFAOYSA-N
XLogP1.63
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol (CID 20729409) is 2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol is CN(CCO)CCc1cccc2cc[nH]c12.
What is the InChIKey of 2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol?
The InChIKey is PDNTUWQJUWXZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15(9-10-16)8-6-12-4-2-3-11-5-7-14-13(11)12/h2-5,7,14,16H,6,8-10H2,1H3.
What are the key properties of 2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol?
2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol has a molecular weight of 218.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol is sourced from PubChem (CID 20729409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).