7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine

C11H15NO2 — CID 130054307

IUPAC7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1ccc(C)c2c1OCC2N
InChIInChI=1S/C11H15NO2/c1-3-13-9-5-4-7(2)10-8(12)6-14-11(9)10/h4-5,8H,3,6,12H2,1-2H3
InChIKeyPWBYUKSUVJRGCN-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.79
Rot. Bonds2

About 7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine

7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 130054307) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID130054307
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1ccc(C)c2c1OCC2N
InChIInChI=1S/C11H15NO2/c1-3-13-9-5-4-7(2)10-8(12)6-14-11(9)10/h4-5,8H,3,6,12H2,1-2H3
InChIKeyPWBYUKSUVJRGCN-UHFFFAOYSA-N
XLogP1.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 130054307) is 7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine is CCOc1ccc(C)c2c1OCC2N.
What is the InChIKey of 7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is PWBYUKSUVJRGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-13-9-5-4-7(2)10-8(12)6-14-11(9)10/h4-5,8H,3,6,12H2,1-2H3.
What are the key properties of 7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine?
7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 193.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 130054307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).