[5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine

C12H12FNS — CID 23130747

IUPAC[5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(Cc2cccc(F)c2)s1
InChIInChI=1S/C12H12FNS/c13-10-3-1-2-9(6-10)7-11-4-5-12(8-14)15-11/h1-6H,7-8,14H2
InChIKeyJPYWEJZSAASCNY-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.94
Rot. Bonds3

About [5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine

[5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine (PubChem CID 23130747) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is [5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine
PubChem CID23130747
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name[5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(Cc2cccc(F)c2)s1
InChIInChI=1S/C12H12FNS/c13-10-3-1-2-9(6-10)7-11-4-5-12(8-14)15-11/h1-6H,7-8,14H2
InChIKeyJPYWEJZSAASCNY-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine (CID 23130747) is [5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine is NCc1ccc(Cc2cccc(F)c2)s1.
What is the InChIKey of [5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine?
The InChIKey is JPYWEJZSAASCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c13-10-3-1-2-9(6-10)7-11-4-5-12(8-14)15-11/h1-6H,7-8,14H2.
What are the key properties of [5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine?
[5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-fluorophenyl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 23130747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).