2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline

C14H14FNOS — CID 79519098

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
SMILESCOc1ccc(N)c(SCc2ccc(F)cc2)c1
InChIInChI=1S/C14H14FNOS/c1-17-12-6-7-13(16)14(8-12)18-9-10-2-4-11(15)5-3-10/h2-8H,9,16H2,1H3
InChIKeyASGVROLXAMUOSM-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.71
Rot. Bonds4

About 2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline

2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline (PubChem CID 79519098) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
PubChem CID79519098
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
SMILESCOc1ccc(N)c(SCc2ccc(F)cc2)c1
InChIInChI=1S/C14H14FNOS/c1-17-12-6-7-13(16)14(8-12)18-9-10-2-4-11(15)5-3-10/h2-8H,9,16H2,1H3
InChIKeyASGVROLXAMUOSM-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
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 79519175
5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43304406
2-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-fluoroaniline
CID 79148966
2-(2-fluoroethylsulfanyl)-4-methoxyaniline
CID 80693918
2-[(4-tert-butylphenyl)methylsulfanyl]-4-fluoroaniline
CID 79147819
2-[(4-chlorophenyl)methylsulfanyl]-4-fluoroaniline
CID 79147531
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79518823
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79512592
4-methyl-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]aniline
CID 79128627
5-[(2-amino-5-fluorophenyl)sulfanylmethyl]-2-methoxybenzonitrile
CID 79147816
1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene
CID 59882027

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline (CID 79519098) is 2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline is COc1ccc(N)c(SCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline?
The InChIKey is ASGVROLXAMUOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-17-12-6-7-13(16)14(8-12)18-9-10-2-4-11(15)5-3-10/h2-8H,9,16H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline?
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline 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 2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline is sourced from PubChem (CID 79519098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).