2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine

C19H23NO2 — CID 68963646

IUPAC2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCOc1cc2c(c(-c3c(C)cccc3C)c1)OC(CCN)C2
InChIInChI=1S/C19H23NO2/c1-12-5-4-6-13(2)18(12)17-11-16(21-3)10-14-9-15(7-8-20)22-19(14)17/h4-6,10-11,15H,7-9,20H2,1-3H3
InChIKeyUVFPZRWTKDPZLM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.63
Rot. Bonds4

About 2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine

2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine (PubChem CID 68963646) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine.

Molecular Properties

Compound Name2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
PubChem CID68963646
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCOc1cc2c(c(-c3c(C)cccc3C)c1)OC(CCN)C2
InChIInChI=1S/C19H23NO2/c1-12-5-4-6-13(2)18(12)17-11-16(21-3)10-14-9-15(7-8-20)22-19(14)17/h4-6,10-11,15H,7-9,20H2,1-3H3
InChIKeyUVFPZRWTKDPZLM-UHFFFAOYSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The IUPAC name of 2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine (CID 68963646) is 2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine.
What is the SMILES notation for 2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The canonical SMILES for 2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine is COc1cc2c(c(-c3c(C)cccc3C)c1)OC(CCN)C2.
What is the InChIKey of 2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The InChIKey is UVFPZRWTKDPZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12-5-4-6-13(2)18(12)17-11-16(21-3)10-14-9-15(7-8-20)22-19(14)17/h4-6,10-11,15H,7-9,20H2,1-3H3.
What are the key properties of 2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine has a molecular weight of 297.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,6-dimethylphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine is sourced from PubChem (CID 68963646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).