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

C15H15F2NS — CID 112678597

IUPAC1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Sc1ccc(F)cc1F
InChIInChI=1S/C15H15F2NS/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(16)9-12(15)17/h3-9,13H,2,18H2,1H3
InChIKeyYOOGOWFIHWSTSN-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.53
Rot. Bonds4

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

1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine (PubChem CID 112678597) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine
PubChem CID112678597
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Sc1ccc(F)cc1F
InChIInChI=1S/C15H15F2NS/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(16)9-12(15)17/h3-9,13H,2,18H2,1H3
InChIKeyYOOGOWFIHWSTSN-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 115995811
1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43345496
(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
CID 103959471
2-[2-[(1S)-1-aminopropyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 103959543
1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one
CID 112677665
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine
CID 103959494
(1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine
CID 171211776

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine?
The IUPAC name of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine (CID 112678597) is 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine is CCC(N)c1ccccc1Sc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine?
The InChIKey is YOOGOWFIHWSTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-2-13(18)11-5-3-4-6-14(11)19-15-8-7-10(16)9-12(15)17/h3-9,13H,2,18H2,1H3.
What are the key properties of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine?
1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine has a molecular weight of 279.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine is sourced from PubChem (CID 112678597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).