1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine

C11H18FNS — CID 130561634

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine
SMILESCNC(c1cc(C)sc1C)C(C)(C)F
InChIInChI=1S/C11H18FNS/c1-7-6-9(8(2)14-7)10(13-5)11(3,4)12/h6,10,13H,1-5H3
InChIKeyINMSARJRSKMLIR-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.37
Rot. Bonds3

About 1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine

1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine (PubChem CID 130561634) has the molecular formula C11H18FNS and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine
PubChem CID130561634
Molecular FormulaC11H18FNS
Molecular Weight215.34 g/mol
Exact Mass215.11
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine
SMILESCNC(c1cc(C)sc1C)C(C)(C)F
InChIInChI=1S/C11H18FNS/c1-7-6-9(8(2)14-7)10(13-5)11(3,4)12/h6,10,13H,1-5H3
InChIKeyINMSARJRSKMLIR-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496846
1-(2,5-dimethylthiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43496834
3-(1-bromo-3,3-difluoro-2-methylbutyl)-2,5-dimethylthiophene
CID 130673620
1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-propylpentan-1-amine
CID 82984794
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43200476
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
1-(2,5-dimethylthiophen-3-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 43496920
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63902098
1-(2-chloro-4-fluorophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 43485300
3-(1-bromo-2-methylpropyl)-2,5-dimethylthiophene
CID 61097945
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936594
2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 54977382

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine (CID 130561634) is 1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine is CNC(c1cc(C)sc1C)C(C)(C)F.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine?
The InChIKey is INMSARJRSKMLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNS/c1-7-6-9(8(2)14-7)10(13-5)11(3,4)12/h6,10,13H,1-5H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine?
1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-fluoro-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 130561634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).