1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine

C16H17F2NS — CID 63819664

IUPAC1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H17F2NS/c1-2-13(19)9-11-3-6-14(7-4-11)20-16-8-5-12(17)10-15(16)18/h3-8,10,13H,2,9,19H2,1H3
InChIKeyYFZXCUWVQNRCQE-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.40
Rot. Bonds5

About 1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine

1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine (PubChem CID 63819664) has the molecular formula C16H17F2NS and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine
PubChem CID63819664
Molecular FormulaC16H17F2NS
Molecular Weight293.38 g/mol
Exact Mass293.10
IUPAC Name1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H17F2NS/c1-2-13(19)9-11-3-6-14(7-4-11)20-16-8-5-12(17)10-15(16)18/h3-8,10,13H,2,9,19H2,1H3
InChIKeyYFZXCUWVQNRCQE-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(4-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 81160027
1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine
CID 55238932
1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568
1-[4-(2-methylphenyl)sulfanylphenyl]butan-2-amine
CID 55238363
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
CID 63817149
4-(2,4-difluorophenyl)sulfanylphenol
CID 177164297
1-(4-tert-butylsulfanyl-3-fluorophenyl)butan-2-amine
CID 55237979
1-[4-(2-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 63818591
4-bromo-1-(4-ethylphenyl)sulfanyl-2-fluorobenzene
CID 91877705
6-(2,4-difluorophenyl)sulfanylhexan-3-amine
CID 106808157
1-[4-(2-bromo-4-fluorophenoxy)-3-fluorophenyl]butan-2-amine
CID 63816803
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 107693284

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine (CID 63819664) is 1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine is CCC(N)Cc1ccc(Sc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine?
The InChIKey is YFZXCUWVQNRCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NS/c1-2-13(19)9-11-3-6-14(7-4-11)20-16-8-5-12(17)10-15(16)18/h3-8,10,13H,2,9,19H2,1H3.
What are the key properties of 1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine?
1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine has a molecular weight of 293.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine is sourced from PubChem (CID 63819664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).