1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol

C10H13NO2 — CID 112712259

IUPAC1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol
SMILESNCC(O)C1=CC2OC=CC2C=C1
InChIInChI=1S/C10H13NO2/c11-6-9(12)8-2-1-7-3-4-13-10(7)5-8/h1-5,7,9-10,12H,6,11H2
InChIKeyVDTVKHIVSRGXIA-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.33
Rot. Bonds2

About 1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol

1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol (PubChem CID 112712259) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol.

Molecular Properties

Compound Name1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol
PubChem CID112712259
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol
SMILESNCC(O)C1=CC2OC=CC2C=C1
InChIInChI=1S/C10H13NO2/c11-6-9(12)8-2-1-7-3-4-13-10(7)5-8/h1-5,7,9-10,12H,6,11H2
InChIKeyVDTVKHIVSRGXIA-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol?
The IUPAC name of 1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol (CID 112712259) is 1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol.
What is the SMILES notation for 1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol?
The canonical SMILES for 1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol is NCC(O)C1=CC2OC=CC2C=C1.
What is the InChIKey of 1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol?
The InChIKey is VDTVKHIVSRGXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-6-9(12)8-2-1-7-3-4-13-10(7)5-8/h1-5,7,9-10,12H,6,11H2.
What are the key properties of 1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol?
1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol has a molecular weight of 179.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol is sourced from PubChem (CID 112712259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).