[5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine

C13H14FNS — CID 115002125

IUPAC[5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine
SMILESCc1cc(CN)sc1-c1cccc(F)c1C
InChIInChI=1S/C13H14FNS/c1-8-6-10(7-15)16-13(8)11-4-3-5-12(14)9(11)2/h3-6H,7,15H2,1-2H3
InChIKeyKZEYZFAEQAWAHB-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.63
Rot. Bonds2

About [5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine

[5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine (PubChem CID 115002125) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is [5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine
PubChem CID115002125
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name[5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine
SMILESCc1cc(CN)sc1-c1cccc(F)c1C
InChIInChI=1S/C13H14FNS/c1-8-6-10(7-15)16-13(8)11-4-3-5-12(14)9(11)2/h3-6H,7,15H2,1-2H3
InChIKeyKZEYZFAEQAWAHB-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]ethanone
CID 115002911
[5-(2,5-dimethylphenyl)-4-methylthiophen-2-yl]methanamine
CID 114996811
[4-(3-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 115502881
[5-(3-ethylphenyl)-4-methylthiophen-2-yl]methanamine
CID 114996813
4-(3-fluoro-2-methylphenyl)-3-methylaniline
CID 115502785
2-fluoro-6-(3-fluoro-2-methylphenyl)aniline
CID 107602875
2-(3-fluoro-2-methylphenyl)-4-methylaniline
CID 115502782
[4-methyl-5-(4-propylphenyl)thiophen-2-yl]methanamine
CID 114997571
2-ethyl-4-(3-fluoro-2-methylphenyl)aniline
CID 113324468
4-(aminomethyl)-5-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 133054887
[5-(3-fluoro-2-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
CID 172649966
[5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine
CID 62549550

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine?
The IUPAC name of [5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine (CID 115002125) is [5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine is Cc1cc(CN)sc1-c1cccc(F)c1C.
What is the InChIKey of [5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine?
The InChIKey is KZEYZFAEQAWAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-8-6-10(7-15)16-13(8)11-4-3-5-12(14)9(11)2/h3-6H,7,15H2,1-2H3.
What are the key properties of [5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine?
[5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 115002125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).