1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol

C13H18N2O2 — CID 644945

IUPAC1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol
SMILESOCCNCC(O)Cn1ccc2ccccc21
InChIInChI=1S/C13H18N2O2/c16-8-6-14-9-12(17)10-15-7-5-11-3-1-2-4-13(11)15/h1-5,7,12,14,16-17H,6,8-10H2
InChIKeyGMMNWOPHKHNYNM-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.58
Rot. Bonds6

About 1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol

1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol (PubChem CID 644945) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol
PubChem CID644945
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol
SMILESOCCNCC(O)Cn1ccc2ccccc21
InChIInChI=1S/C13H18N2O2/c16-8-6-14-9-12(17)10-15-7-5-11-3-1-2-4-13(11)15/h1-5,7,12,14,16-17H,6,8-10H2
InChIKeyGMMNWOPHKHNYNM-UHFFFAOYSA-N
XLogP0.58
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol?
The IUPAC name of 1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol (CID 644945) is 1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol is OCCNCC(O)Cn1ccc2ccccc21.
What is the InChIKey of 1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol?
The InChIKey is GMMNWOPHKHNYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-8-6-14-9-12(17)10-15-7-5-11-3-1-2-4-13(11)15/h1-5,7,12,14,16-17H,6,8-10H2.
What are the key properties of 1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol?
1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol has a molecular weight of 234.30 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)-3-indol-1-ylpropan-2-ol is sourced from PubChem (CID 644945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).