1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine

C12H12FNS — CID 61104003

IUPAC1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine
SMILESCNCc1cc(-c2cccs2)ccc1F
InChIInChI=1S/C12H12FNS/c1-14-8-10-7-9(4-5-11(10)13)12-3-2-6-15-12/h2-7,14H,8H2,1H3
InChIKeyMZGJKWPIBKGWSX-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.27
Rot. Bonds3

About 1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine

1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine (PubChem CID 61104003) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine
PubChem CID61104003
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine
SMILESCNCc1cc(-c2cccs2)ccc1F
InChIInChI=1S/C12H12FNS/c1-14-8-10-7-9(4-5-11(10)13)12-3-2-6-15-12/h2-7,14H,8H2,1H3
InChIKeyMZGJKWPIBKGWSX-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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Related Compounds

1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911708
1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
CID 61026213
1-[2-fluoro-5-[4-(2-methylbutan-2-yl)phenyl]phenyl]-N-methylmethanamine
CID 66259190
1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 107514112
1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
CID 79823518
1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
CID 54910232
1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 116506604
1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine
CID 82811445
2-fluoro-5-thiophen-2-ylbenzoic acid
CID 16768898
2-(3-fluorophenyl)thiophene
CID 22486407
5-(methylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446483

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine (CID 61104003) is 1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine is CNCc1cc(-c2cccs2)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine?
The InChIKey is MZGJKWPIBKGWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c1-14-8-10-7-9(4-5-11(10)13)12-3-2-6-15-12/h2-7,14H,8H2,1H3.
What are the key properties of 1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine?
1-(2-fluoro-5-thiophen-2-ylphenyl)-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-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 61104003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).