[4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C16H15F2NO — CID 11964410

IUPAC[4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1ccccc1-c1cc(F)c(F)c2c1OC(CN)C2
InChIInChI=1S/C16H15F2NO/c1-9-4-2-3-5-11(9)12-7-14(17)15(18)13-6-10(8-19)20-16(12)13/h2-5,7,10H,6,8,19H2,1H3
InChIKeyOLOLIIXIJWOCBZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.20
Rot. Bonds2

About [4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 11964410) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is [4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID11964410
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name[4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1ccccc1-c1cc(F)c(F)c2c1OC(CN)C2
InChIInChI=1S/C16H15F2NO/c1-9-4-2-3-5-11(9)12-7-14(17)15(18)13-6-10(8-19)20-16(12)13/h2-5,7,10H,6,8,19H2,1H3
InChIKeyOLOLIIXIJWOCBZ-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 11964410) is [4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1ccccc1-c1cc(F)c(F)c2c1OC(CN)C2.
What is the InChIKey of [4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is OLOLIIXIJWOCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-9-4-2-3-5-11(9)12-7-14(17)15(18)13-6-10(8-19)20-16(12)13/h2-5,7,10H,6,8,19H2,1H3.
What are the key properties of [4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 275.30 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-difluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 11964410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).