2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine

C16H23NO3 — CID 104748413

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine
SMILESCC1(C)Cc2cccc(OCC(N)C3CCOC3)c2O1
InChIInChI=1S/C16H23NO3/c1-16(2)8-11-4-3-5-14(15(11)20-16)19-10-13(17)12-6-7-18-9-12/h3-5,12-13H,6-10,17H2,1-2H3
InChIKeyBJVXCUXUKMOARP-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.14
Rot. Bonds4

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine (PubChem CID 104748413) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine
PubChem CID104748413
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine
SMILESCC1(C)Cc2cccc(OCC(N)C3CCOC3)c2O1
InChIInChI=1S/C16H23NO3/c1-16(2)8-11-4-3-5-14(15(11)20-16)19-10-13(17)12-6-7-18-9-12/h3-5,12-13H,6-10,17H2,1-2H3
InChIKeyBJVXCUXUKMOARP-UHFFFAOYSA-N
XLogP2.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine 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-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propan-1-ol
CID 64804801
(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-(oxan-4-yloxy)propan-2-ol
CID 124588927
7-(2,2-dimethoxyethoxy)-2,2-dimethyl-3H-1-benzofuran
CID 66222745
1-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylethanamine
CID 63914242
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propane-1,2-diol
CID 82850589
2,2-dimethyl-7-[[(2S)-oxiran-2-yl]methoxy]-3H-1-benzofuran
CID 30075050
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
2-(2-fluoro-5-methylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104749553
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-[di(propan-2-yl)amino]propan-2-ol
CID 101171640
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748364
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-di(propan-2-yl)acetamide
CID 8551057

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine (CID 104748413) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine is CC1(C)Cc2cccc(OCC(N)C3CCOC3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine?
The InChIKey is BJVXCUXUKMOARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2)8-11-4-3-5-14(15(11)20-16)19-10-13(17)12-6-7-18-9-12/h3-5,12-13H,6-10,17H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine has a molecular weight of 277.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104748413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).