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

C12H16N2O — CID 22556872

IUPAC2-[2-(1H-indol-7-yl)ethylamino]ethanol
SMILESOCCNCCc1cccc2cc[nH]c12
InChIInChI=1S/C12H16N2O/c15-9-8-13-6-4-10-2-1-3-11-5-7-14-12(10)11/h1-3,5,7,13-15H,4,6,8-9H2
InChIKeyROOZYCJURKZPGQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.29
Rot. Bonds5

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

2-[2-(1H-indol-7-yl)ethylamino]ethanol (PubChem CID 22556872) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-(1H-indol-7-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(1H-indol-7-yl)ethylamino]ethanol
PubChem CID22556872
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[2-(1H-indol-7-yl)ethylamino]ethanol
SMILESOCCNCCc1cccc2cc[nH]c12
InChIInChI=1S/C12H16N2O/c15-9-8-13-6-4-10-2-1-3-11-5-7-14-12(10)11/h1-3,5,7,13-15H,4,6,8-9H2
InChIKeyROOZYCJURKZPGQ-UHFFFAOYSA-N
XLogP1.29
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-7-yl)ethanol
CID 22556873
2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol
CID 20729409
2-(1H-indol-7-ylmethylamino)propane-1,3-diol
CID 115655450
(E)-N-hydroxy-3-[4-[[2-(1H-indol-7-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 74539651
7-(2-isocyanoethyl)-1H-indole
CID 83481079
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
[1-(1H-indol-7-ylmethylamino)cyclobutyl]methanol
CID 113263647
3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol
CID 103701053
7-(4-methylpentyl)-1H-indole
CID 177208716
N-(1H-indol-7-ylmethyl)-2-methylsulfanylethanamine;hydrochloride
CID 115606849
N-(1H-indol-7-ylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 113243504
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-7-yl)ethylamino]ethanol?
The IUPAC name of 2-[2-(1H-indol-7-yl)ethylamino]ethanol (CID 22556872) is 2-[2-(1H-indol-7-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(1H-indol-7-yl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(1H-indol-7-yl)ethylamino]ethanol is OCCNCCc1cccc2cc[nH]c12.
What is the InChIKey of 2-[2-(1H-indol-7-yl)ethylamino]ethanol?
The InChIKey is ROOZYCJURKZPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-9-8-13-6-4-10-2-1-3-11-5-7-14-12(10)11/h1-3,5,7,13-15H,4,6,8-9H2.
What are the key properties of 2-[2-(1H-indol-7-yl)ethylamino]ethanol?
2-[2-(1H-indol-7-yl)ethylamino]ethanol has a molecular weight of 204.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-7-yl)ethylamino]ethanol is sourced from PubChem (CID 22556872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).