1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine

C16H19F2NS — CID 103586914

IUPAC1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2cc(F)c(C)cc2F)s1
InChIInChI=1S/C16H19F2NS/c1-4-14(19-5-2)16-7-6-15(20-16)11-9-12(17)10(3)8-13(11)18/h6-9,14,19H,4-5H2,1-3H3
InChIKeyLCZIPYZQOMWFAQ-UHFFFAOYSA-N
MW295.40 g/mol
LogP5.06
Rot. Bonds5

About 1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine

1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine (PubChem CID 103586914) has the molecular formula C16H19F2NS and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine
PubChem CID103586914
Molecular FormulaC16H19F2NS
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2cc(F)c(C)cc2F)s1
InChIInChI=1S/C16H19F2NS/c1-4-14(19-5-2)16-7-6-15(20-16)11-9-12(17)10(3)8-13(11)18/h6-9,14,19H,4-5H2,1-3H3
InChIKeyLCZIPYZQOMWFAQ-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 63400821
1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43288239
1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 107577037
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 63400689
N-[[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]methyl]propan-2-amine
CID 103586918
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 43288275
N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine
CID 63400867
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007
1-[5-(4-bromo-2,5-difluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 107615065
N-ethyl-1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanamine
CID 43287860
N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43287933

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine (CID 103586914) is 1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1ccc(-c2cc(F)c(C)cc2F)s1.
What is the InChIKey of 1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
The InChIKey is LCZIPYZQOMWFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NS/c1-4-14(19-5-2)16-7-6-15(20-16)11-9-12(17)10(3)8-13(11)18/h6-9,14,19H,4-5H2,1-3H3.
What are the key properties of 1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine?
1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-difluoro-4-methylphenyl)thiophen-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 103586914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).