1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine

C16H16FNO — CID 55144051

IUPAC1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc3c(c2)COC3)cc1F
InChIInChI=1S/C16H16FNO/c1-10-2-3-12(7-15(10)17)16(18)11-4-5-13-8-19-9-14(13)6-11/h2-7,16H,8-9,18H2,1H3
InChIKeyWUZZTUHEAHGWGV-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.21
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine

1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 55144051) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine
PubChem CID55144051
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc3c(c2)COC3)cc1F
InChIInChI=1S/C16H16FNO/c1-10-2-3-12(7-15(10)17)16(18)11-4-5-13-8-19-9-14(13)6-11/h2-7,16H,8-9,18H2,1H3
InChIKeyWUZZTUHEAHGWGV-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.21
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-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine (CID 55144051) is 1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2ccc3c(c2)COC3)cc1F.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is WUZZTUHEAHGWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10-2-3-12(7-15(10)17)16(18)11-4-5-13-8-19-9-14(13)6-11/h2-7,16H,8-9,18H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine?
1,3-dihydro-2-benzofuran-5-yl-(3-fluoro-4-methylphenyl)methanamine has a molecular weight of 257.31 g/mol, XLogP of 3.21, 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-(3-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 55144051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).