1-[(1-methylindol-5-yl)amino]propan-2-ol

C12H16N2O — CID 82539777

IUPAC1-[(1-methylindol-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1ccc2c(ccn2C)c1
InChIInChI=1S/C12H16N2O/c1-9(15)8-13-11-3-4-12-10(7-11)5-6-14(12)2/h3-7,9,13,15H,8H2,1-2H3
InChIKeyILMYOIVZIHZWHT-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.97
Rot. Bonds3

About 1-[(1-methylindol-5-yl)amino]propan-2-ol

1-[(1-methylindol-5-yl)amino]propan-2-ol (PubChem CID 82539777) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[(1-methylindol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(1-methylindol-5-yl)amino]propan-2-ol
PubChem CID82539777
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[(1-methylindol-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1ccc2c(ccn2C)c1
InChIInChI=1S/C12H16N2O/c1-9(15)8-13-11-3-4-12-10(7-11)5-6-14(12)2/h3-7,9,13,15H,8H2,1-2H3
InChIKeyILMYOIVZIHZWHT-UHFFFAOYSA-N
XLogP1.97
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylindol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[(1-methylindol-5-yl)amino]propan-2-ol (CID 82539777) is 1-[(1-methylindol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(1-methylindol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(1-methylindol-5-yl)amino]propan-2-ol is CC(O)CNc1ccc2c(ccn2C)c1.
What is the InChIKey of 1-[(1-methylindol-5-yl)amino]propan-2-ol?
The InChIKey is ILMYOIVZIHZWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(15)8-13-11-3-4-12-10(7-11)5-6-14(12)2/h3-7,9,13,15H,8H2,1-2H3.
What are the key properties of 1-[(1-methylindol-5-yl)amino]propan-2-ol?
1-[(1-methylindol-5-yl)amino]propan-2-ol has a molecular weight of 204.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylindol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 82539777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).