2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline

C15H16FNS — CID 58022381

IUPAC2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline
SMILESCC(C)(Sc1ccc(F)c(N)c1)c1ccccc1
InChIInChI=1S/C15H16FNS/c1-15(2,11-6-4-3-5-7-11)18-12-8-9-13(16)14(17)10-12/h3-10H,17H2,1-2H3
InChIKeyOKSNLEZHLSCELB-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.44
Rot. Bonds3

About 2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline

2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline (PubChem CID 58022381) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline
PubChem CID58022381
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline
SMILESCC(C)(Sc1ccc(F)c(N)c1)c1ccccc1
InChIInChI=1S/C15H16FNS/c1-15(2,11-6-4-3-5-7-11)18-12-8-9-13(16)14(17)10-12/h3-10H,17H2,1-2H3
InChIKeyOKSNLEZHLSCELB-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline?
The IUPAC name of 2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline (CID 58022381) is 2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline.
What is the SMILES notation for 2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline?
The canonical SMILES for 2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline is CC(C)(Sc1ccc(F)c(N)c1)c1ccccc1.
What is the InChIKey of 2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline?
The InChIKey is OKSNLEZHLSCELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-15(2,11-6-4-3-5-7-11)18-12-8-9-13(16)14(17)10-12/h3-10H,17H2,1-2H3.
What are the key properties of 2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline?
2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline has a molecular weight of 261.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-phenylpropan-2-ylsulfanyl)aniline is sourced from PubChem (CID 58022381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).