1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine

C15H17F2NS — CID 64561389

IUPAC1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
SMILESCCc1ccc(CC(N)Cc2ccc(F)cc2F)s1
InChIInChI=1S/C15H17F2NS/c1-2-13-5-6-14(19-13)9-12(18)7-10-3-4-11(16)8-15(10)17/h3-6,8,12H,2,7,9,18H2,1H3
InChIKeyXESCMHCIOBGYJU-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.70
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine

1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine (PubChem CID 64561389) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
PubChem CID64561389
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC Name1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
SMILESCCc1ccc(CC(N)Cc2ccc(F)cc2F)s1
InChIInChI=1S/C15H17F2NS/c1-2-13-5-6-14(19-13)9-12(18)7-10-3-4-11(16)8-15(10)17/h3-6,8,12H,2,7,9,18H2,1H3
InChIKeyXESCMHCIOBGYJU-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.70
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)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
CID 105223143
2-(2,4-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893810
1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 63412354
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 64559079
1-(5-ethylthiophen-2-yl)-5,5,5-trifluoropentan-2-amine
CID 79952744
1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135064
1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 114886671
2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105136122
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine (CID 64561389) is 1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine is CCc1ccc(CC(N)Cc2ccc(F)cc2F)s1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine?
The InChIKey is XESCMHCIOBGYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-2-13-5-6-14(19-13)9-12(18)7-10-3-4-11(16)8-15(10)17/h3-6,8,12H,2,7,9,18H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine?
1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine has a molecular weight of 281.37 g/mol, XLogP of 3.70, 5 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-(5-ethylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 64561389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).