1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine

C12H12FNS — CID 62491192

IUPAC1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2ccccc2F)c1
InChIInChI=1S/C12H12FNS/c1-14-7-9-6-12(15-8-9)10-4-2-3-5-11(10)13/h2-6,8,14H,7H2,1H3
InChIKeyCQLRQRSHEBCTNQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.27
Rot. Bonds3

About 1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine

1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine (PubChem CID 62491192) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine
PubChem CID62491192
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2ccccc2F)c1
InChIInChI=1S/C12H12FNS/c1-14-7-9-6-12(15-8-9)10-4-2-3-5-11(10)13/h2-6,8,14H,7H2,1H3
InChIKeyCQLRQRSHEBCTNQ-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine (CID 62491192) is 1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine is CNCc1csc(-c2ccccc2F)c1.
What is the InChIKey of 1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine?
The InChIKey is CQLRQRSHEBCTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c1-14-7-9-6-12(15-8-9)10-4-2-3-5-11(10)13/h2-6,8,14H,7H2,1H3.
What are the key properties of 1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine?
1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine has a molecular weight of 221.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62491192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).