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

C18H20FNO2 — CID 68962623

IUPAC2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCOc1ccc(C)c(-c2cc(F)cc3c2OC(CCN)C3)c1
InChIInChI=1S/C18H20FNO2/c1-11-3-4-14(21-2)10-16(11)17-9-13(19)7-12-8-15(5-6-20)22-18(12)17/h3-4,7,9-10,15H,5-6,8,20H2,1-2H3
InChIKeyKDZIAERGOBKPTE-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.46
Rot. Bonds4

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

2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine (PubChem CID 68962623) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
PubChem CID68962623
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESCOc1ccc(C)c(-c2cc(F)cc3c2OC(CCN)C3)c1
InChIInChI=1S/C18H20FNO2/c1-11-3-4-14(21-2)10-16(11)17-9-13(19)7-12-8-15(5-6-20)22-18(12)17/h3-4,7,9-10,15H,5-6,8,20H2,1-2H3
InChIKeyKDZIAERGOBKPTE-UHFFFAOYSA-N
XLogP3.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The IUPAC name of 2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine (CID 68962623) is 2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The canonical SMILES for 2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine is COc1ccc(C)c(-c2cc(F)cc3c2OC(CCN)C3)c1.
What is the InChIKey of 2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The InChIKey is KDZIAERGOBKPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-11-3-4-14(21-2)10-16(11)17-9-13(19)7-12-8-15(5-6-20)22-18(12)17/h3-4,7,9-10,15H,5-6,8,20H2,1-2H3.
What are the key properties of 2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine has a molecular weight of 301.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine is sourced from PubChem (CID 68962623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).