5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline

C14H14FNOS — CID 43304406

IUPAC5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
SMILESCOc1ccc(CSc2ccc(F)cc2N)cc1
InChIInChI=1S/C14H14FNOS/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9,16H2,1H3
InChIKeySJUXZTYNMIHFGQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.71
Rot. Bonds4

About 5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline

5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline (PubChem CID 43304406) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
PubChem CID43304406
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
SMILESCOc1ccc(CSc2ccc(F)cc2N)cc1
InChIInChI=1S/C14H14FNOS/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9,16H2,1H3
InChIKeySJUXZTYNMIHFGQ-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.71
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

4-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 79148342
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098
5-fluoro-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 43304284
2-[(4-fluorophenyl)methylsulfanyl]-5-methylaniline
CID 43302719
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
5-fluoro-2-(pyridin-4-ylmethylsulfanyl)aniline
CID 43304430
5-fluoro-2-(methoxymethylsulfanyl)aniline
CID 65364453
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 79519175
1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene
CID 59882027
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
5-fluoro-2-[(4-fluoro-2-methylphenyl)methylsulfanyl]aniline
CID 114346132

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline?
The IUPAC name of 5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline (CID 43304406) is 5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline.
What is the SMILES notation for 5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline?
The canonical SMILES for 5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline is COc1ccc(CSc2ccc(F)cc2N)cc1.
What is the InChIKey of 5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline?
The InChIKey is SJUXZTYNMIHFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9,16H2,1H3.
What are the key properties of 5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline?
5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline has a molecular weight of 263.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline is sourced from PubChem (CID 43304406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).