(2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol

C11H13NO2 — CID 130731754

IUPAC(2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol
SMILESCc1oc2ccccc2c1[C@@H](N)CO
InChIInChI=1S/C11H13NO2/c1-7-11(9(12)6-13)8-4-2-3-5-10(8)14-7/h2-5,9,13H,6,12H2,1H3/t9-/m0/s1
InChIKeyCMGLSMNPECOUJV-VIFPVBQESA-N
MW191.23 g/mol
LogP1.73
Rot. Bonds2

About (2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol

(2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol (PubChem CID 130731754) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol
PubChem CID130731754
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol
SMILESCc1oc2ccccc2c1[C@@H](N)CO
InChIInChI=1S/C11H13NO2/c1-7-11(9(12)6-13)8-4-2-3-5-10(8)14-7/h2-5,9,13H,6,12H2,1H3/t9-/m0/s1
InChIKeyCMGLSMNPECOUJV-VIFPVBQESA-N
XLogP1.73
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine
CID 116987428
2-(2-methyl-1-benzofuran-3-yl)butanoic acid
CID 116987423
methyl 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butanoate
CID 116987431
(2S)-2-amino-2-anthracen-9-ylethanol
CID 11623207
dibenzofuran;ethanol
CID 174821059
1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine
CID 62955226
1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
2-(2-methyl-1-benzofuran-3-yl)acetyl chloride
CID 142975043
2-amino-2-[2-(hydroxymethyl)-6-methylphenyl]ethanol
CID 130042273
(4-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanol
CID 15307875

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol (CID 130731754) is (2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol is Cc1oc2ccccc2c1[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol?
The InChIKey is CMGLSMNPECOUJV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-11(9(12)6-13)8-4-2-3-5-10(8)14-7/h2-5,9,13H,6,12H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol?
(2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol has a molecular weight of 191.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol is sourced from PubChem (CID 130731754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).