(2S)-2-amino-2-(1-benzofuran-4-yl)ethanol

C10H11NO2 — CID 96741670

IUPAC(2S)-2-amino-2-(1-benzofuran-4-yl)ethanol
SMILESN[C@H](CO)c1cccc2occc12
InChIInChI=1S/C10H11NO2/c11-9(6-12)7-2-1-3-10-8(7)4-5-13-10/h1-5,9,12H,6,11H2/t9-/m1/s1
InChIKeyQTFAJEOOVMJSBH-SECBINFHSA-N
MW177.20 g/mol
LogP1.42
Rot. Bonds2

About (2S)-2-amino-2-(1-benzofuran-4-yl)ethanol

(2S)-2-amino-2-(1-benzofuran-4-yl)ethanol (PubChem CID 96741670) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2S)-2-amino-2-(1-benzofuran-4-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(1-benzofuran-4-yl)ethanol
PubChem CID96741670
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(2S)-2-amino-2-(1-benzofuran-4-yl)ethanol
SMILESN[C@H](CO)c1cccc2occc12
InChIInChI=1S/C10H11NO2/c11-9(6-12)7-2-1-3-10-8(7)4-5-13-10/h1-5,9,12H,6,11H2/t9-/m1/s1
InChIKeyQTFAJEOOVMJSBH-SECBINFHSA-N
XLogP1.42
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(1-benzofuran-4-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(1-benzofuran-4-yl)ethanol (CID 96741670) is (2S)-2-amino-2-(1-benzofuran-4-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(1-benzofuran-4-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(1-benzofuran-4-yl)ethanol is N[C@H](CO)c1cccc2occc12.
What is the InChIKey of (2S)-2-amino-2-(1-benzofuran-4-yl)ethanol?
The InChIKey is QTFAJEOOVMJSBH-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NO2/c11-9(6-12)7-2-1-3-10-8(7)4-5-13-10/h1-5,9,12H,6,11H2/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(1-benzofuran-4-yl)ethanol?
(2S)-2-amino-2-(1-benzofuran-4-yl)ethanol has a molecular weight of 177.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(1-benzofuran-4-yl)ethanol is sourced from PubChem (CID 96741670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).