1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol

C15H21NO2 — CID 114735119

IUPAC1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol
SMILESCc1ccc2oc(C(O)CNCC(C)C)cc2c1
InChIInChI=1S/C15H21NO2/c1-10(2)8-16-9-13(17)15-7-12-6-11(3)4-5-14(12)18-15/h4-7,10,13,16-17H,8-9H2,1-3H3
InChIKeyRXKHYJMQZKMTDT-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.02
Rot. Bonds5

About 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol

1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol (PubChem CID 114735119) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol
PubChem CID114735119
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol
SMILESCc1ccc2oc(C(O)CNCC(C)C)cc2c1
InChIInChI=1S/C15H21NO2/c1-10(2)8-16-9-13(17)15-7-12-6-11(3)4-5-14(12)18-15/h4-7,10,13,16-17H,8-9H2,1-3H3
InChIKeyRXKHYJMQZKMTDT-UHFFFAOYSA-N
XLogP3.02
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)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

2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 114735641
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726614
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114
3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726904
3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114724900
N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103771495
1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129184
2-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016416
1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129170

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol (CID 114735119) is 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol is Cc1ccc2oc(C(O)CNCC(C)C)cc2c1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol?
The InChIKey is RXKHYJMQZKMTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)8-16-9-13(17)15-7-12-6-11(3)4-5-14(12)18-15/h4-7,10,13,16-17H,8-9H2,1-3H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol?
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol has a molecular weight of 247.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 114735119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).