1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine

C14H16FNS — CID 43154452

IUPAC1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(C)cc2F)s1
InChIInChI=1S/C14H16FNS/c1-3-12(16)14-7-6-13(17-14)10-5-4-9(2)8-11(10)15/h4-8,12H,3,16H2,1-2H3
InChIKeyJFAQZBLYTAYKAJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.27
Rot. Bonds3

About 1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine

1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine (PubChem CID 43154452) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine
PubChem CID43154452
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(C)cc2F)s1
InChIInChI=1S/C14H16FNS/c1-3-12(16)14-7-6-13(17-14)10-5-4-9(2)8-11(10)15/h4-8,12H,3,16H2,1-2H3
InChIKeyJFAQZBLYTAYKAJ-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43154475
1-[5-(2,3,5-trifluorophenyl)thiophen-2-yl]propan-1-amine
CID 55119174
1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43363461
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
CID 43363440
1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 66475853
2,5-bis[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]thiophene-3,4-diamine
CID 145023033
1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154378
1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-amine
CID 43363563
1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43288239
1-[5-(3-chloro-4-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43154192
1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine
CID 102806861
1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43331844

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine (CID 43154452) is 1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine is CCC(N)c1ccc(-c2ccc(C)cc2F)s1.
What is the InChIKey of 1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine?
The InChIKey is JFAQZBLYTAYKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-3-12(16)14-7-6-13(17-14)10-5-4-9(2)8-11(10)15/h4-8,12H,3,16H2,1-2H3.
What are the key properties of 1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine?
1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine is sourced from PubChem (CID 43154452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).