2-(5-amino-2-methyl-1H-indol-3-yl)ethanol

C11H14N2O — CID 91482632

IUPAC2-(5-amino-2-methyl-1H-indol-3-yl)ethanol
SMILESCc1[nH]c2ccc(N)cc2c1CCO
InChIInChI=1S/C11H14N2O/c1-7-9(4-5-14)10-6-8(12)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
InChIKeyCRXFLHFXXNWLLA-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.59
Rot. Bonds2

About 2-(5-amino-2-methyl-1H-indol-3-yl)ethanol

2-(5-amino-2-methyl-1H-indol-3-yl)ethanol (PubChem CID 91482632) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(5-amino-2-methyl-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-2-methyl-1H-indol-3-yl)ethanol
PubChem CID91482632
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(5-amino-2-methyl-1H-indol-3-yl)ethanol
SMILESCc1[nH]c2ccc(N)cc2c1CCO
InChIInChI=1S/C11H14N2O/c1-7-9(4-5-14)10-6-8(12)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
InChIKeyCRXFLHFXXNWLLA-UHFFFAOYSA-N
XLogP1.59
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methyl-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(5-amino-2-methyl-1H-indol-3-yl)ethanol (CID 91482632) is 2-(5-amino-2-methyl-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(5-amino-2-methyl-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(5-amino-2-methyl-1H-indol-3-yl)ethanol is Cc1[nH]c2ccc(N)cc2c1CCO.
What is the InChIKey of 2-(5-amino-2-methyl-1H-indol-3-yl)ethanol?
The InChIKey is CRXFLHFXXNWLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-9(4-5-14)10-6-8(12)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3.
What are the key properties of 2-(5-amino-2-methyl-1H-indol-3-yl)ethanol?
2-(5-amino-2-methyl-1H-indol-3-yl)ethanol has a molecular weight of 190.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methyl-1H-indol-3-yl)ethanol is sourced from PubChem (CID 91482632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).