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

C10H13NO2 — CID 82600093

IUPAC2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
SMILESNC(CO)c1ccc2c(c1)COC2
InChIInChI=1S/C10H13NO2/c11-10(4-12)7-1-2-8-5-13-6-9(8)3-7/h1-3,10,12H,4-6,11H2
InChIKeyVVFDUTPMGYOIEP-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.71
Rot. Bonds2

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

2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol (PubChem CID 82600093) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
PubChem CID82600093
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
SMILESNC(CO)c1ccc2c(c1)COC2
InChIInChI=1S/C10H13NO2/c11-10(4-12)7-1-2-8-5-13-6-9(8)3-7/h1-3,10,12H,4-6,11H2
InChIKeyVVFDUTPMGYOIEP-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-2-methoxyethanamine
CID 105008898
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 63019877
1-(1,3-dihydro-2-benzofuran-5-yl)octan-1-amine
CID 63020921
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
4-amino-4-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylbutanoic acid
CID 65297326
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 63021612
5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid
CID 63019902
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylsulfonylbutan-1-amine
CID 115820724
1-(1,3-dihydro-2-benzofuran-5-yl)oct-7-en-1-amine
CID 107011642
methyl 6-amino-6-(1,3-dihydro-2-benzofuran-5-yl)hexanoate
CID 63019188
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanamine
CID 63744022
1-(1,3-dihydro-2-benzofuran-5-yl)prop-2-en-1-amine
CID 105000909

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
The IUPAC name of 2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol (CID 82600093) is 2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol is NC(CO)c1ccc2c(c1)COC2.
What is the InChIKey of 2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
The InChIKey is VVFDUTPMGYOIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-10(4-12)7-1-2-8-5-13-6-9(8)3-7/h1-3,10,12H,4-6,11H2.
What are the key properties of 2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol?
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol has a molecular weight of 179.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol is sourced from PubChem (CID 82600093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).