2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol

C12H16N2O — CID 67987205

IUPAC2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol
SMILESCc1[nH]c2c(C)ccc(N)c2c1CCO
InChIInChI=1S/C12H16N2O/c1-7-3-4-10(13)11-9(5-6-15)8(2)14-12(7)11/h3-4,14-15H,5-6,13H2,1-2H3
InChIKeyJJPDGJVUOQSVKB-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.90
Rot. Bonds2

About 2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol

2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol (PubChem CID 67987205) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol
PubChem CID67987205
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol
SMILESCc1[nH]c2c(C)ccc(N)c2c1CCO
InChIInChI=1S/C12H16N2O/c1-7-3-4-10(13)11-9(5-6-15)8(2)14-12(7)11/h3-4,14-15H,5-6,13H2,1-2H3
InChIKeyJJPDGJVUOQSVKB-UHFFFAOYSA-N
XLogP1.90
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol (CID 67987205) is 2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol is Cc1[nH]c2c(C)ccc(N)c2c1CCO.
What is the InChIKey of 2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol?
The InChIKey is JJPDGJVUOQSVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-3-4-10(13)11-9(5-6-15)8(2)14-12(7)11/h3-4,14-15H,5-6,13H2,1-2H3.
What are the key properties of 2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol?
2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol has a molecular weight of 204.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,7-dimethyl-1H-indol-3-yl)ethanol is sourced from PubChem (CID 67987205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).