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

C11H14N2O — CID 112708805

IUPAC2-amino-1-(3-methyl-1H-indol-2-yl)ethanol
SMILESCc1c(C(O)CN)[nH]c2ccccc12
InChIInChI=1S/C11H14N2O/c1-7-8-4-2-3-5-9(8)13-11(7)10(14)6-12/h2-5,10,13-14H,6,12H2,1H3
InChIKeyBNRXSQWLIAZBBK-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.47
Rot. Bonds2

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

2-amino-1-(3-methyl-1H-indol-2-yl)ethanol (PubChem CID 112708805) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-amino-1-(3-methyl-1H-indol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-methyl-1H-indol-2-yl)ethanol
PubChem CID112708805
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-amino-1-(3-methyl-1H-indol-2-yl)ethanol
SMILESCc1c(C(O)CN)[nH]c2ccccc12
InChIInChI=1S/C11H14N2O/c1-7-8-4-2-3-5-9(8)13-11(7)10(14)6-12/h2-5,10,13-14H,6,12H2,1H3
InChIKeyBNRXSQWLIAZBBK-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methyl-1H-indol-2-yl)ethanol?
The IUPAC name of 2-amino-1-(3-methyl-1H-indol-2-yl)ethanol (CID 112708805) is 2-amino-1-(3-methyl-1H-indol-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(3-methyl-1H-indol-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(3-methyl-1H-indol-2-yl)ethanol is Cc1c(C(O)CN)[nH]c2ccccc12.
What is the InChIKey of 2-amino-1-(3-methyl-1H-indol-2-yl)ethanol?
The InChIKey is BNRXSQWLIAZBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-8-4-2-3-5-9(8)13-11(7)10(14)6-12/h2-5,10,13-14H,6,12H2,1H3.
What are the key properties of 2-amino-1-(3-methyl-1H-indol-2-yl)ethanol?
2-amino-1-(3-methyl-1H-indol-2-yl)ethanol has a molecular weight of 190.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methyl-1H-indol-2-yl)ethanol is sourced from PubChem (CID 112708805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).