1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine

C13H14FNS — CID 43483467

IUPAC1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)c1cccs1
InChIInChI=1S/C13H14FNS/c1-9-5-6-10(8-11(9)14)13(15-2)12-4-3-7-16-12/h3-8,13,15H,1-2H3
InChIKeyJMTDLCKWKLCWFO-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.50
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine

1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 43483467) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID43483467
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1ccc(C)c(F)c1)c1cccs1
InChIInChI=1S/C13H14FNS/c1-9-5-6-10(8-11(9)14)13(15-2)12-4-3-7-16-12/h3-8,13,15H,1-2H3
InChIKeyJMTDLCKWKLCWFO-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 107288722
1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102831967
1-(1-benzothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130130
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484259
N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 43483425
1-(5-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130085
1-(2-fluoro-4-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130367
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963780
1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130127
1-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107128750
1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393747

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine (CID 43483467) is 1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine is CNC(c1ccc(C)c(F)c1)c1cccs1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is JMTDLCKWKLCWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-9-5-6-10(8-11(9)14)13(15-2)12-4-3-7-16-12/h3-8,13,15H,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43483467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).