2-amino-1-(1,7-dimethylindol-5-yl)ethanol

C12H16N2O — CID 84777937

IUPAC2-amino-1-(1,7-dimethylindol-5-yl)ethanol
SMILESCc1cc(C(O)CN)cc2ccn(C)c12
InChIInChI=1S/C12H16N2O/c1-8-5-10(11(15)7-13)6-9-3-4-14(2)12(8)9/h3-6,11,15H,7,13H2,1-2H3
InChIKeyYHVHVIJCLCFHCX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.48
Rot. Bonds2

About 2-amino-1-(1,7-dimethylindol-5-yl)ethanol

2-amino-1-(1,7-dimethylindol-5-yl)ethanol (PubChem CID 84777937) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-1-(1,7-dimethylindol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1,7-dimethylindol-5-yl)ethanol
PubChem CID84777937
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-amino-1-(1,7-dimethylindol-5-yl)ethanol
SMILESCc1cc(C(O)CN)cc2ccn(C)c12
InChIInChI=1S/C12H16N2O/c1-8-5-10(11(15)7-13)6-9-3-4-14(2)12(8)9/h3-6,11,15H,7,13H2,1-2H3
InChIKeyYHVHVIJCLCFHCX-UHFFFAOYSA-N
XLogP1.48
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,7-dimethylindol-5-yl)ethanol?
The IUPAC name of 2-amino-1-(1,7-dimethylindol-5-yl)ethanol (CID 84777937) is 2-amino-1-(1,7-dimethylindol-5-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1,7-dimethylindol-5-yl)ethanol?
The canonical SMILES for 2-amino-1-(1,7-dimethylindol-5-yl)ethanol is Cc1cc(C(O)CN)cc2ccn(C)c12.
What is the InChIKey of 2-amino-1-(1,7-dimethylindol-5-yl)ethanol?
The InChIKey is YHVHVIJCLCFHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-5-10(11(15)7-13)6-9-3-4-14(2)12(8)9/h3-6,11,15H,7,13H2,1-2H3.
What are the key properties of 2-amino-1-(1,7-dimethylindol-5-yl)ethanol?
2-amino-1-(1,7-dimethylindol-5-yl)ethanol has a molecular weight of 204.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,7-dimethylindol-5-yl)ethanol is sourced from PubChem (CID 84777937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).