1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine

C16H14FNOS — CID 2993608

IUPAC1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESFc1ccc(-c2ccc(CNCc3cccs3)o2)cc1
InChIInChI=1S/C16H14FNOS/c17-13-5-3-12(4-6-13)16-8-7-14(19-16)10-18-11-15-2-1-9-20-15/h1-9,18H,10-11H2
InChIKeyBVMLYDWMOYRGPI-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.44
Rot. Bonds5

About 1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine

1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 2993608) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID2993608
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESFc1ccc(-c2ccc(CNCc3cccs3)o2)cc1
InChIInChI=1S/C16H14FNOS/c17-13-5-3-12(4-6-13)16-8-7-14(19-16)10-18-11-15-2-1-9-20-15/h1-9,18H,10-11H2
InChIKeyBVMLYDWMOYRGPI-UHFFFAOYSA-N
XLogP4.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine (CID 2993608) is 1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine is Fc1ccc(-c2ccc(CNCc3cccs3)o2)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is BVMLYDWMOYRGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c17-13-5-3-12(4-6-13)16-8-7-14(19-16)10-18-11-15-2-1-9-20-15/h1-9,18H,10-11H2.
What are the key properties of 1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine?
1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 287.36 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 2993608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).