3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline

C15H15F2NOS — CID 80736854

IUPAC3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline
SMILESCCCOc1cc(N)cc(Sc2cc(F)ccc2F)c1
InChIInChI=1S/C15H15F2NOS/c1-2-5-19-12-7-11(18)8-13(9-12)20-15-6-10(16)3-4-14(15)17/h3-4,6-9H,2,5,18H2,1H3
InChIKeyVEOMAAXOGAVCST-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.49
Rot. Bonds5

About 3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline

3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline (PubChem CID 80736854) has the molecular formula C15H15F2NOS and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline
PubChem CID80736854
Molecular FormulaC15H15F2NOS
Molecular Weight295.35 g/mol
Exact Mass295.08
IUPAC Name3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline
SMILESCCCOc1cc(N)cc(Sc2cc(F)ccc2F)c1
InChIInChI=1S/C15H15F2NOS/c1-2-5-19-12-7-11(18)8-13(9-12)20-15-6-10(16)3-4-14(15)17/h3-4,6-9H,2,5,18H2,1H3
InChIKeyVEOMAAXOGAVCST-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-propoxyaniline
CID 80752315
3-amino-5-(2,5-difluorophenyl)sulfanylbenzenesulfonamide
CID 60988002
3-N-[(3,4-difluorophenyl)methyl]-5-propoxybenzene-1,3-diamine
CID 80738657
3-N-(5-chloro-2-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 80721719
3-N-(2-fluoro-5-methoxyphenyl)-5-propoxybenzene-1,3-diamine
CID 80742705
3-(4-bromo-2-fluorophenoxy)-5-propoxyaniline
CID 80748838
3-N-(2-bromo-6-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 107596767
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-propoxyaniline
CID 102721621
3-ethoxy-5-phenylsulfanylaniline
CID 80737383
3-(2-ethoxyethoxy)-5-propoxyaniline
CID 80748385
2-(4-bromophenyl)sulfanyl-5-fluoro-4-propoxyaniline
CID 63592470
2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline
CID 103591356

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline?
The IUPAC name of 3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline (CID 80736854) is 3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline.
What is the SMILES notation for 3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline?
The canonical SMILES for 3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline is CCCOc1cc(N)cc(Sc2cc(F)ccc2F)c1.
What is the InChIKey of 3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline?
The InChIKey is VEOMAAXOGAVCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NOS/c1-2-5-19-12-7-11(18)8-13(9-12)20-15-6-10(16)3-4-14(15)17/h3-4,6-9H,2,5,18H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline?
3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline has a molecular weight of 295.35 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline is sourced from PubChem (CID 80736854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).