1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine

C16H20FNS — CID 105170024

IUPAC1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1cc(C)cc(F)c1
InChIInChI=1S/C16H20FNS/c1-12-9-13(11-14(17)10-12)16(18-2)7-3-5-15-6-4-8-19-15/h4,6,8-11,16,18H,3,5,7H2,1-2H3
InChIKeyGSQLQCAQTDYMDQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.48
Rot. Bonds6

About 1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine

1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 105170024) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
PubChem CID105170024
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC Name1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1cc(C)cc(F)c1
InChIInChI=1S/C16H20FNS/c1-12-9-13(11-14(17)10-12)16(18-2)7-3-5-15-6-4-8-19-15/h4,6,8-11,16,18H,3,5,7H2,1-2H3
InChIKeyGSQLQCAQTDYMDQ-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105168382
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105185849
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559
1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146730
1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
1-(furan-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146981
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 103397395
N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine
CID 105172657
N-methyl-1-quinolin-6-yl-4-thiophen-2-ylbutan-1-amine
CID 105172395
1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105188622
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570
1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346261

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (CID 105170024) is 1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is CNC(CCCc1cccs1)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is GSQLQCAQTDYMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-12-9-13(11-14(17)10-12)16(18-2)7-3-5-15-6-4-8-19-15/h4,6,8-11,16,18H,3,5,7H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105170024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).