3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol

C18H21NO2 — CID 60945327

IUPAC3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1ccc(C(C)NC2COc3cc(O)ccc32)c(C)c1
InChIInChI=1S/C18H21NO2/c1-11-4-6-15(12(2)8-11)13(3)19-17-10-21-18-9-14(20)5-7-16(17)18/h4-9,13,17,19-20H,10H2,1-3H3
InChIKeyHUIUTNGKVZJZGR-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.79
Rot. Bonds3

About 3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 60945327) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID60945327
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1ccc(C(C)NC2COc3cc(O)ccc32)c(C)c1
InChIInChI=1S/C18H21NO2/c1-11-4-6-15(12(2)8-11)13(3)19-17-10-21-18-9-14(20)5-7-16(17)18/h4-9,13,17,19-20H,10H2,1-3H3
InChIKeyHUIUTNGKVZJZGR-UHFFFAOYSA-N
XLogP3.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-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

3-[[(1S)-1-(3-methylphenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81364279
3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81350810
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79253595
3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62840280
4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol
CID 107715160
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81365402
3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43202630
3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81402485
3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 107862226
2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 60931257
3-(2,6-dibromo-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43126164
3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43749158

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 60945327) is 3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol is Cc1ccc(C(C)NC2COc3cc(O)ccc32)c(C)c1.
What is the InChIKey of 3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is HUIUTNGKVZJZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11-4-6-15(12(2)8-11)13(3)19-17-10-21-18-9-14(20)5-7-16(17)18/h4-9,13,17,19-20H,10H2,1-3H3.
What are the key properties of 3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 283.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 60945327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).