2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol

C11H16N2O2 — CID 112713618

IUPAC2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol
SMILESNCC(O)C1=CC=CC2C=C(CO)NC12
InChIInChI=1S/C11H16N2O2/c12-5-10(15)9-3-1-2-7-4-8(6-14)13-11(7)9/h1-4,7,10-11,13-15H,5-6,12H2
InChIKeyIXUAUMFNTAZKFQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.73
Rot. Bonds3

About 2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol

2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol (PubChem CID 112713618) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol
PubChem CID112713618
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol
SMILESNCC(O)C1=CC=CC2C=C(CO)NC12
InChIInChI=1S/C11H16N2O2/c12-5-10(15)9-3-1-2-7-4-8(6-14)13-11(7)9/h1-4,7,10-11,13-15H,5-6,12H2
InChIKeyIXUAUMFNTAZKFQ-UHFFFAOYSA-N
XLogP-0.73
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol?
The IUPAC name of 2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol (CID 112713618) is 2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol.
What is the SMILES notation for 2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol?
The canonical SMILES for 2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol is NCC(O)C1=CC=CC2C=C(CO)NC12.
What is the InChIKey of 2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol?
The InChIKey is IXUAUMFNTAZKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-5-10(15)9-3-1-2-7-4-8(6-14)13-11(7)9/h1-4,7,10-11,13-15H,5-6,12H2.
What are the key properties of 2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol?
2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol has a molecular weight of 208.26 g/mol, XLogP of -0.73, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol is sourced from PubChem (CID 112713618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).