2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol

C12H19NO2 — CID 84677134

IUPAC2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol
SMILESCNCC(O)c1c(C)oc2c1CCCC2
InChIInChI=1S/C12H19NO2/c1-8-12(10(14)7-13-2)9-5-3-4-6-11(9)15-8/h10,13-14H,3-7H2,1-2H3
InChIKeyQEBGZPWGHUHVJL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.72
Rot. Bonds3

About 2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol

2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol (PubChem CID 84677134) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol
PubChem CID84677134
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol
SMILESCNCC(O)c1c(C)oc2c1CCCC2
InChIInChI=1S/C12H19NO2/c1-8-12(10(14)7-13-2)9-5-3-4-6-11(9)15-8/h10,13-14H,3-7H2,1-2H3
InChIKeyQEBGZPWGHUHVJL-UHFFFAOYSA-N
XLogP1.72
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117499843
3-bromo-1-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117483744
2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117316238
4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 117319735
2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)butanoic acid
CID 84780202
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol
CID 117413072
6-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-3-methylphenol
CID 84806395
1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
CID 117335550
1-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanol
CID 117417580
1-(6,7-dimethyl-1,3-benzodioxol-4-yl)-2-(methylamino)ethanol
CID 117319741
3-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-4-methylphenol
CID 84806393

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol?
The IUPAC name of 2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol (CID 84677134) is 2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol is CNCC(O)c1c(C)oc2c1CCCC2.
What is the InChIKey of 2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol?
The InChIKey is QEBGZPWGHUHVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-12(10(14)7-13-2)9-5-3-4-6-11(9)15-8/h10,13-14H,3-7H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol?
2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol is sourced from PubChem (CID 84677134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).