3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline

C14H14FNOS — CID 43134707

IUPAC3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1CSc1ccc(F)cc1
InChIInChI=1S/C14H14FNOS/c1-17-14-7-4-12(16)8-10(14)9-18-13-5-2-11(15)3-6-13/h2-8H,9,16H2,1H3
InChIKeyUEVMLOLMCZONII-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.71
Rot. Bonds4

About 3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline

3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline (PubChem CID 43134707) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline
PubChem CID43134707
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1CSc1ccc(F)cc1
InChIInChI=1S/C14H14FNOS/c1-17-14-7-4-12(16)8-10(14)9-18-13-5-2-11(15)3-6-13/h2-8H,9,16H2,1H3
InChIKeyUEVMLOLMCZONII-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

2-chloro-4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]aniline
CID 79149364
4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 43299370
3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]aniline
CID 79133877
4-ethoxy-3-[(4-methylphenyl)sulfanylmethyl]aniline
CID 43260271
4-chloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]aniline
CID 79527710
2-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-fluoroaniline
CID 79148966
3-[(2-bromo-4-fluorophenoxy)methyl]-4-methoxyaniline
CID 43247179
3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-4-methylaniline
CID 79140891
4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol
CID 60864407
3-chloro-4-[(2-methoxy-5-methylphenyl)methylsulfanyl]aniline
CID 43305207
tert-butyl 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]acetate
CID 116686926
5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43301902

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline?
The IUPAC name of 3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline (CID 43134707) is 3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline?
The canonical SMILES for 3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline is COc1ccc(N)cc1CSc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline?
The InChIKey is UEVMLOLMCZONII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-17-14-7-4-12(16)8-10(14)9-18-13-5-2-11(15)3-6-13/h2-8H,9,16H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline?
3-[(4-fluorophenyl)sulfanylmethyl]-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 3-[(4-fluorophenyl)sulfanylmethyl]-4-methoxyaniline is sourced from PubChem (CID 43134707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).