(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol

C10H13NO2 — CID 66513598

IUPAC(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESN[C@@H](CO)c1ccc2c(c1)CCO2
InChIInChI=1S/C10H13NO2/c11-9(6-12)7-1-2-10-8(5-7)3-4-13-10/h1-2,5,9,12H,3-4,6,11H2/t9-/m0/s1
InChIKeyBMTOGQCQAFGHSS-VIFPVBQESA-N
MW179.22 g/mol
LogP0.61
Rot. Bonds2

About (2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol

(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol (PubChem CID 66513598) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
PubChem CID66513598
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESN[C@@H](CO)c1ccc2c(c1)CCO2
InChIInChI=1S/C10H13NO2/c11-9(6-12)7-1-2-10-8(5-7)3-4-13-10/h1-2,5,9,12H,3-4,6,11H2/t9-/m0/s1
InChIKeyBMTOGQCQAFGHSS-VIFPVBQESA-N
XLogP0.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diamino-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 116942432
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 43209176
6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide
CID 54927378
(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 171202488
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
(2S)-2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol
CID 96753008
2-amino-2-(3,4-dihydro-2H-chromen-7-yl)ethanol
CID 82605108

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol (CID 66513598) is (2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol is N[C@@H](CO)c1ccc2c(c1)CCO2.
What is the InChIKey of (2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The InChIKey is BMTOGQCQAFGHSS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2/c11-9(6-12)7-1-2-10-8(5-7)3-4-13-10/h1-2,5,9,12H,3-4,6,11H2/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol has a molecular weight of 179.22 g/mol, XLogP of 0.61, 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-(2,3-dihydro-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 66513598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).