1-amino-3-indol-1-ylpropan-2-ol

C11H14N2O — CID 66799372

IUPAC1-amino-3-indol-1-ylpropan-2-ol
SMILESNCC(O)Cn1ccc2ccccc21
InChIInChI=1S/C11H14N2O/c12-7-10(14)8-13-6-5-9-3-1-2-4-11(9)13/h1-6,10,14H,7-8,12H2
InChIKeyPATVETAUUHTYRR-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.96
Rot. Bonds3

About 1-amino-3-indol-1-ylpropan-2-ol

1-amino-3-indol-1-ylpropan-2-ol (PubChem CID 66799372) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-amino-3-indol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-indol-1-ylpropan-2-ol
PubChem CID66799372
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-amino-3-indol-1-ylpropan-2-ol
SMILESNCC(O)Cn1ccc2ccccc21
InChIInChI=1S/C11H14N2O/c12-7-10(14)8-13-6-5-9-3-1-2-4-11(9)13/h1-6,10,14H,7-8,12H2
InChIKeyPATVETAUUHTYRR-UHFFFAOYSA-N
XLogP0.96
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-indol-1-ylpropan-2-ol?
The IUPAC name of 1-amino-3-indol-1-ylpropan-2-ol (CID 66799372) is 1-amino-3-indol-1-ylpropan-2-ol.
What is the SMILES notation for 1-amino-3-indol-1-ylpropan-2-ol?
The canonical SMILES for 1-amino-3-indol-1-ylpropan-2-ol is NCC(O)Cn1ccc2ccccc21.
What is the InChIKey of 1-amino-3-indol-1-ylpropan-2-ol?
The InChIKey is PATVETAUUHTYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-7-10(14)8-13-6-5-9-3-1-2-4-11(9)13/h1-6,10,14H,7-8,12H2.
What are the key properties of 1-amino-3-indol-1-ylpropan-2-ol?
1-amino-3-indol-1-ylpropan-2-ol has a molecular weight of 190.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-indol-1-ylpropan-2-ol is sourced from PubChem (CID 66799372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).