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

C15H18FNS — CID 43154475

IUPAC1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2cc(C)ccc2F)s1
InChIInChI=1S/C15H18FNS/c1-3-4-13(17)15-8-7-14(18-15)11-9-10(2)5-6-12(11)16/h5-9,13H,3-4,17H2,1-2H3
InChIKeyXJAZTKVBSRLXEC-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.66
Rot. Bonds4

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

1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine (PubChem CID 43154475) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine
PubChem CID43154475
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC Name1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2cc(C)ccc2F)s1
InChIInChI=1S/C15H18FNS/c1-3-4-13(17)15-8-7-14(18-15)11-9-10(2)5-6-12(11)16/h5-9,13H,3-4,17H2,1-2H3
InChIKeyXJAZTKVBSRLXEC-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]butan-1-amine
CID 62811684
1-[5-(2-fluoro-4-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43154452
1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43363461
1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43288239
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine
CID 81274603
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43154322
1-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]butan-1-amine
CID 115564753
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586221
1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
CID 43154404
1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43438630
1-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 43154441
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of 1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine (CID 43154475) is 1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for 1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine is CCCC(N)c1ccc(-c2cc(C)ccc2F)s1.
What is the InChIKey of 1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is XJAZTKVBSRLXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-3-4-13(17)15-8-7-14(18-15)11-9-10(2)5-6-12(11)16/h5-9,13H,3-4,17H2,1-2H3.
What are the key properties of 1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine?
1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 43154475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).