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

C14H14FNOS — CID 58021989

IUPAC2-fluoro-5-[(2-methoxyphenyl)methylsulfanyl]aniline
SMILESCOc1ccccc1CSc1ccc(F)c(N)c1
InChIInChI=1S/C14H14FNOS/c1-17-14-5-3-2-4-10(14)9-18-11-6-7-12(15)13(16)8-11/h2-8H,9,16H2,1H3
InChIKeyOWDZGMNJIVEVSU-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.71
Rot. Bonds4

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

2-fluoro-5-[(2-methoxyphenyl)methylsulfanyl]aniline (PubChem CID 58021989) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-fluoro-5-[(2-methoxyphenyl)methylsulfanyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-[(2-methoxyphenyl)methylsulfanyl]aniline
PubChem CID58021989
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name2-fluoro-5-[(2-methoxyphenyl)methylsulfanyl]aniline
SMILESCOc1ccccc1CSc1ccc(F)c(N)c1
InChIInChI=1S/C14H14FNOS/c1-17-14-5-3-2-4-10(14)9-18-11-6-7-12(15)13(16)8-11/h2-8H,9,16H2,1H3
InChIKeyOWDZGMNJIVEVSU-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-methoxyphenyl)methylsulfanyl]aniline?
The IUPAC name of 2-fluoro-5-[(2-methoxyphenyl)methylsulfanyl]aniline (CID 58021989) is 2-fluoro-5-[(2-methoxyphenyl)methylsulfanyl]aniline.
What is the SMILES notation for 2-fluoro-5-[(2-methoxyphenyl)methylsulfanyl]aniline?
The canonical SMILES for 2-fluoro-5-[(2-methoxyphenyl)methylsulfanyl]aniline is COc1ccccc1CSc1ccc(F)c(N)c1.
What is the InChIKey of 2-fluoro-5-[(2-methoxyphenyl)methylsulfanyl]aniline?
The InChIKey is OWDZGMNJIVEVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-17-14-5-3-2-4-10(14)9-18-11-6-7-12(15)13(16)8-11/h2-8H,9,16H2,1H3.
What are the key properties of 2-fluoro-5-[(2-methoxyphenyl)methylsulfanyl]aniline?
2-fluoro-5-[(2-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 2-fluoro-5-[(2-methoxyphenyl)methylsulfanyl]aniline is sourced from PubChem (CID 58021989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).