2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol

C14H24N2O2 — CID 152544493

IUPAC2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CCC1CC2CC=CC=C2N1
InChIInChI=1S/C14H24N2O2/c17-9-7-16(8-10-18)6-5-13-11-12-3-1-2-4-14(12)15-13/h1-2,4,12-13,15,17-18H,3,5-11H2
InChIKeyYMEUFGXHQGWRFE-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.49
Rot. Bonds7

About 2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol

2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 152544493) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol
PubChem CID152544493
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CCC1CC2CC=CC=C2N1
InChIInChI=1S/C14H24N2O2/c17-9-7-16(8-10-18)6-5-13-11-12-3-1-2-4-14(12)15-13/h1-2,4,12-13,15,17-18H,3,5-11H2
InChIKeyYMEUFGXHQGWRFE-UHFFFAOYSA-N
XLogP0.49
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3,3a,4,5,7a-hexahydro-1H-isoindol-4-ylamino)ethanol
CID 19365025
2-[2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl(methyl)amino]ethanol
CID 19374402
2-(2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-ylamino)ethanol
CID 19374419
2,3,3a,4-tetrahydro-1H-indol-2-ylmethanol
CID 152565737
[4-(2-aminoethyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
CID 112712684
[4-(2-aminopropyl)-3a,7a-dihydro-1H-indol-2-yl]methanol
CID 112713465

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol (CID 152544493) is 2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)CCC1CC2CC=CC=C2N1.
What is the InChIKey of 2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is YMEUFGXHQGWRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-9-7-16(8-10-18)6-5-13-11-12-3-1-2-4-14(12)15-13/h1-2,4,12-13,15,17-18H,3,5-11H2.
What are the key properties of 2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol?
2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 252.36 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,3a,4-tetrahydro-1H-indol-2-yl)ethyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 152544493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).