1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine

C15H14FNO — CID 63020402

IUPAC1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine
SMILESNC(c1ccc2c(c1)COC2)c1ccccc1F
InChIInChI=1S/C15H14FNO/c16-14-4-2-1-3-13(14)15(17)10-5-6-11-8-18-9-12(11)7-10/h1-7,15H,8-9,17H2
InChIKeyFPEXGWCSQOIDDR-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.90
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine

1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine (PubChem CID 63020402) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine
PubChem CID63020402
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine
SMILESNC(c1ccc2c(c1)COC2)c1ccccc1F
InChIInChI=1S/C15H14FNO/c16-14-4-2-1-3-13(14)15(17)10-5-6-11-8-18-9-12(11)7-10/h1-7,15H,8-9,17H2
InChIKeyFPEXGWCSQOIDDR-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine (CID 63020402) is 1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine is NC(c1ccc2c(c1)COC2)c1ccccc1F.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine?
The InChIKey is FPEXGWCSQOIDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-14-4-2-1-3-13(14)15(17)10-5-6-11-8-18-9-12(11)7-10/h1-7,15H,8-9,17H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine?
1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine has a molecular weight of 243.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(2-fluorophenyl)methanamine is sourced from PubChem (CID 63020402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).