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

C12H17NO2 — CID 66039061

IUPAC2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO2/c1-12(2,13)11(14)9-3-4-10-8(7-9)5-6-15-10/h3-4,7,11,14H,5-6,13H2,1-2H3
InChIKeyDIXUAUWKYJUKOT-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.39
Rot. Bonds2

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

2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol (PubChem CID 66039061) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
PubChem CID66039061
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO2/c1-12(2,13)11(14)9-3-4-10-8(7-9)5-6-15-10/h3-4,7,11,14H,5-6,13H2,1-2H3
InChIKeyDIXUAUWKYJUKOT-UHFFFAOYSA-N
XLogP1.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol 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

2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836
1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113425110
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine
CID 116905822
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 104542557
(4-tert-butylcyclohexyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 63426478
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol (CID 66039061) is 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol is CC(C)(N)C(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol?
The InChIKey is DIXUAUWKYJUKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,13)11(14)9-3-4-10-8(7-9)5-6-15-10/h3-4,7,11,14H,5-6,13H2,1-2H3.
What are the key properties of 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol?
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 66039061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).