2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine

C16H17F2NS — CID 64648296

IUPAC2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)Sc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H17F2NS/c1-10-3-5-12(6-4-10)16(19)11(2)20-15-9-13(17)7-8-14(15)18/h3-9,11,16H,19H2,1-2H3
InChIKeyGRVQYNDGXQHBNU-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.45
Rot. Bonds4

About 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine

2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine (PubChem CID 64648296) has the molecular formula C16H17F2NS and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
PubChem CID64648296
Molecular FormulaC16H17F2NS
Molecular Weight293.38 g/mol
Exact Mass293.10
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)Sc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H17F2NS/c1-10-3-5-12(6-4-10)16(19)11(2)20-15-9-13(17)7-8-14(15)18/h3-9,11,16H,19H2,1-2H3
InChIKeyGRVQYNDGXQHBNU-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43224877
2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64626925
2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine
CID 64622029
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64633110
1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64620441
(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370213
(1R,2S)-1-amino-1-(2-fluoro-5-methylphenyl)-3-methylbutan-2-ol
CID 131455693
2-(2,5-difluorophenyl)sulfanylpropanoic acid
CID 16772336
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)propan-1-amine
CID 107525525
1-(4-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
CID 64625731
1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-amine
CID 107524497
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine (CID 64648296) is 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine is Cc1ccc(C(N)C(C)Sc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine?
The InChIKey is GRVQYNDGXQHBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NS/c1-10-3-5-12(6-4-10)16(19)11(2)20-15-9-13(17)7-8-14(15)18/h3-9,11,16H,19H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine?
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine has a molecular weight of 293.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 64648296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).