1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine

C13H13F2NS — CID 64559079

IUPAC1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine
SMILESNC(Cc1ccsc1)Cc1ccc(F)cc1F
InChIInChI=1S/C13H13F2NS/c14-11-2-1-10(13(15)7-11)6-12(16)5-9-3-4-17-8-9/h1-4,7-8,12H,5-6,16H2
InChIKeyOKQOVIWYPABROJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.14
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine

1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine (PubChem CID 64559079) has the molecular formula C13H13F2NS and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine
PubChem CID64559079
Molecular FormulaC13H13F2NS
Molecular Weight253.32 g/mol
Exact Mass253.07
IUPAC Name1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine
SMILESNC(Cc1ccsc1)Cc1ccc(F)cc1F
InChIInChI=1S/C13H13F2NS/c14-11-2-1-10(13(15)7-11)6-12(16)5-9-3-4-17-8-9/h1-4,7-8,12H,5-6,16H2
InChIKeyOKQOVIWYPABROJ-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
[1-(2,4-difluorophenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105216666
1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine
CID 106867617
1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 64561389
1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
CID 62196088
1-(4-chloro-2-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078640
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 62376964
1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105134659
2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethanamine
CID 62602374
1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
CID 66051534

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine (CID 64559079) is 1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine is NC(Cc1ccsc1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine?
The InChIKey is OKQOVIWYPABROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NS/c14-11-2-1-10(13(15)7-11)6-12(16)5-9-3-4-17-8-9/h1-4,7-8,12H,5-6,16H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine?
1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine has a molecular weight of 253.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 64559079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).