(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol

C11H15NO2 — CID 130617223

IUPAC(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESCc1cc2c(c([C@H](N)CO)c1)OCC2
InChIInChI=1S/C11H15NO2/c1-7-4-8-2-3-14-11(8)9(5-7)10(12)6-13/h4-5,10,13H,2-3,6,12H2,1H3/t10-/m1/s1
InChIKeyIMBIYOSUCYCJRF-SNVBAGLBSA-N
MW193.25 g/mol
LogP0.92
Rot. Bonds2

About (2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol

(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol (PubChem CID 130617223) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol
PubChem CID130617223
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESCc1cc2c(c([C@H](N)CO)c1)OCC2
InChIInChI=1S/C11H15NO2/c1-7-4-8-2-3-14-11(8)9(5-7)10(12)6-13/h4-5,10,13H,2-3,6,12H2,1H3/t10-/m1/s1
InChIKeyIMBIYOSUCYCJRF-SNVBAGLBSA-N
XLogP0.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol
CID 83884323
2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol
CID 117285168
2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 117319704
2-amino-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanol
CID 82242261
2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 83901569
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine
CID 104541441
2-amino-2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 84704105
2-amino-2-(2,3,5-trimethylphenyl)ethanol
CID 117278132
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine
CID 104545260
2-amino-2-methyl-1-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-yl)propan-1-ol
CID 82244780
5-methyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran;propane
CID 142100880
ethyl 5-amino-5-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methylpentanoate
CID 104546100

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol (CID 130617223) is (2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol is Cc1cc2c(c([C@H](N)CO)c1)OCC2.
What is the InChIKey of (2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The InChIKey is IMBIYOSUCYCJRF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-8-2-3-14-11(8)9(5-7)10(12)6-13/h4-5,10,13H,2-3,6,12H2,1H3/t10-/m1/s1.
What are the key properties of (2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol?
(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol has a molecular weight of 193.25 g/mol, XLogP of 0.92, 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-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol is sourced from PubChem (CID 130617223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).