2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol

C10H13NO3 — CID 130038415

IUPAC2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol
SMILESN[C@H]1COc2cc(OCCO)ccc21
InChIInChI=1S/C10H13NO3/c11-9-6-14-10-5-7(13-4-3-12)1-2-8(9)10/h1-2,5,9,12H,3-4,6,11H2/t9-/m0/s1
InChIKeyQKBWDVWYVNHMMM-VIFPVBQESA-N
MW195.22 g/mol
LogP0.45
Rot. Bonds3

About 2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol

2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol (PubChem CID 130038415) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol
PubChem CID130038415
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol
SMILESN[C@H]1COc2cc(OCCO)ccc21
InChIInChI=1S/C10H13NO3/c11-9-6-14-10-5-7(13-4-3-12)1-2-8(9)10/h1-2,5,9,12H,3-4,6,11H2/t9-/m0/s1
InChIKeyQKBWDVWYVNHMMM-VIFPVBQESA-N
XLogP0.45
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

6-(3-methylsulfonylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63190974
6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 106722241
6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097070
6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096549
6-[(4-bromothiophen-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63095837
6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 114527225
6-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 107911089
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]-N-cyclopropyl-N-methylacetamide
CID 63095489
6-(oxolan-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096895
6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097077
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol
CID 63096736
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide
CID 63097258

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol?
The IUPAC name of 2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol (CID 130038415) is 2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol.
What is the SMILES notation for 2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol?
The canonical SMILES for 2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol is N[C@H]1COc2cc(OCCO)ccc21.
What is the InChIKey of 2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol?
The InChIKey is QKBWDVWYVNHMMM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO3/c11-9-6-14-10-5-7(13-4-3-12)1-2-8(9)10/h1-2,5,9,12H,3-4,6,11H2/t9-/m0/s1.
What are the key properties of 2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol?
2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol has a molecular weight of 195.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-amino-2,3-dihydro-1-benzofuran-6-yl]oxy]ethanol is sourced from PubChem (CID 130038415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).