2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine

C12H17NO2 — CID 3951670

IUPAC2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
SMILESCOc1cc2c(cc1CCN)OC(C)C2
InChIInChI=1S/C12H17NO2/c1-8-5-10-7-11(14-2)9(3-4-13)6-12(10)15-8/h6-8H,3-5,13H2,1-2H3
InChIKeyTWKGIXJQIPBPSA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.52
Rot. Bonds3

About 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine

2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine (PubChem CID 3951670) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
PubChem CID3951670
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
SMILESCOc1cc2c(cc1CCN)OC(C)C2
InChIInChI=1S/C12H17NO2/c1-8-5-10-7-11(14-2)9(3-4-13)6-12(10)15-8/h6-8H,3-5,13H2,1-2H3
InChIKeyTWKGIXJQIPBPSA-UHFFFAOYSA-N
XLogP1.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83883232
4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine
CID 115349672
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pentan-3-amine
CID 78910481
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]oxetan-3-amine
CID 115349694
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]prop-2-yn-1-amine
CID 78910545
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
CID 78910434
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
CID 78911544
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine
CID 113291945
1,1-diethyl-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]guanidine
CID 75513863
1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine
CID 115349914
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]but-2-ynamide
CID 166405428

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine?
The IUPAC name of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine (CID 3951670) is 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine.
What is the SMILES notation for 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine?
The canonical SMILES for 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine is COc1cc2c(cc1CCN)OC(C)C2.
What is the InChIKey of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine?
The InChIKey is TWKGIXJQIPBPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-5-10-7-11(14-2)9(3-4-13)6-12(10)15-8/h6-8H,3-5,13H2,1-2H3.
What are the key properties of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine?
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine has a molecular weight of 207.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine is sourced from PubChem (CID 3951670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).