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

C16H14FNOS — CID 4723459

IUPAC1-[5-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESFc1ccccc1-c1ccc(CNCc2cccs2)o1
InChIInChI=1S/C16H14FNOS/c17-15-6-2-1-5-14(15)16-8-7-12(19-16)10-18-11-13-4-3-9-20-13/h1-9,18H,10-11H2
InChIKeyOBJCPMOZIYLXPD-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.44
Rot. Bonds5

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

1-[5-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 4723459) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID4723459
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name1-[5-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESFc1ccccc1-c1ccc(CNCc2cccs2)o1
InChIInChI=1S/C16H14FNOS/c17-15-6-2-1-5-14(15)16-8-7-12(19-16)10-18-11-13-4-3-9-20-13/h1-9,18H,10-11H2
InChIKeyOBJCPMOZIYLXPD-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-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[5-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine (CID 4723459) is 1-[5-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[5-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[5-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine is Fc1ccccc1-c1ccc(CNCc2cccs2)o1.
What is the InChIKey of 1-[5-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is OBJCPMOZIYLXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c17-15-6-2-1-5-14(15)16-8-7-12(19-16)10-18-11-13-4-3-9-20-13/h1-9,18H,10-11H2.
What are the key properties of 1-[5-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine?
1-[5-(2-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-(2-fluorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 4723459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).