1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine

C12H12FNS — CID 834259

IUPAC1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESFc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C12H12FNS/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h1-7,14H,8-9H2
InChIKeyOXUMCYRKOFXTRG-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 834259) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID834259
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESFc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C12H12FNS/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h1-7,14H,8-9H2
InChIKeyOXUMCYRKOFXTRG-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 834259) is 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine is Fc1ccc(CNCc2cccs2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is OXUMCYRKOFXTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h1-7,14H,8-9H2.
What are the key properties of 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 834259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).