4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline

C15H17NO2S — CID 81207791

IUPAC4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline
SMILESCOc1ccc(N)c(S(=O)Cc2ccccc2C)c1
InChIInChI=1S/C15H17NO2S/c1-11-5-3-4-6-12(11)10-19(17)15-9-13(18-2)7-8-14(15)16/h3-9H,10,16H2,1-2H3
InChIKeyDNPXCNDJOMNEIF-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.89
Rot. Bonds4

About 4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline

4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline (PubChem CID 81207791) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline
PubChem CID81207791
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline
SMILESCOc1ccc(N)c(S(=O)Cc2ccccc2C)c1
InChIInChI=1S/C15H17NO2S/c1-11-5-3-4-6-12(11)10-19(17)15-9-13(18-2)7-8-14(15)16/h3-9H,10,16H2,1-2H3
InChIKeyDNPXCNDJOMNEIF-UHFFFAOYSA-N
XLogP2.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.89
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-bromo-2-[(2-methylphenyl)methylsulfinyl]aniline
CID 81206592
2-[(2-bromo-5-methoxyphenyl)methylsulfinyl]-4-methylaniline
CID 81182959
2-[(5-bromo-2-fluorophenyl)methylsulfinyl]-4-methoxyaniline
CID 81207464
4-chloro-2-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]aniline
CID 102879929
4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline
CID 102941211
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfinyl]aniline
CID 81201044
4-methoxy-2-(3-phenylpropylsulfinyl)aniline
CID 81206569
2-(2-amino-5-methoxyphenyl)sulfinylacetonitrile
CID 81207794
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfinyl)-4-methoxyaniline
CID 81206722
2-(3-fluoropropylsulfinyl)-4-methoxyaniline
CID 81207384
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylsulfinyl]-4-methoxyaniline
CID 81207467
4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline
CID 81207535

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline?
The IUPAC name of 4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline (CID 81207791) is 4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline.
What is the SMILES notation for 4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline?
The canonical SMILES for 4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline is COc1ccc(N)c(S(=O)Cc2ccccc2C)c1.
What is the InChIKey of 4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline?
The InChIKey is DNPXCNDJOMNEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-5-3-4-6-12(11)10-19(17)15-9-13(18-2)7-8-14(15)16/h3-9H,10,16H2,1-2H3.
What are the key properties of 4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline?
4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline has a molecular weight of 275.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline is sourced from PubChem (CID 81207791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).