4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline

C15H17NO3S — CID 102941211

IUPAC4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline
SMILESCOc1ccc(N)c(S(=O)COCc2ccccc2)c1
InChIInChI=1S/C15H17NO3S/c1-18-13-7-8-14(16)15(9-13)20(17)11-19-10-12-5-3-2-4-6-12/h2-9H,10-11,16H2,1H3
InChIKeyPKSLMAVLKVNBDZ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.56
Rot. Bonds6

About 4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline

4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline (PubChem CID 102941211) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline.

Molecular Properties

Compound Name4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline
PubChem CID102941211
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline
SMILESCOc1ccc(N)c(S(=O)COCc2ccccc2)c1
InChIInChI=1S/C15H17NO3S/c1-18-13-7-8-14(16)15(9-13)20(17)11-19-10-12-5-3-2-4-6-12/h2-9H,10-11,16H2,1H3
InChIKeyPKSLMAVLKVNBDZ-UHFFFAOYSA-N
XLogP2.56
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-(3-phenylpropylsulfinyl)aniline
CID 81206569
4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline
CID 81207791
2-(2-amino-5-methoxyphenyl)sulfinylacetonitrile
CID 81207794
2-(3-fluoropropylsulfinyl)-4-methoxyaniline
CID 81207384
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfinyl]aniline
CID 81201044
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfinyl)-4-methoxyaniline
CID 81206722
4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline
CID 81207535
4-methoxy-2-(2-propan-2-ylsulfonylethylsulfinyl)aniline
CID 106735808
2-[2-(3-bromophenoxy)ethylsulfinyl]-4-methoxyaniline
CID 81201014
4-methoxy-2-(oxan-4-ylmethylsulfinyl)aniline
CID 81207462
1-methoxy-3,5-bis(phenylmethoxymethyl)benzene
CID 22899511
4-[(2-amino-5-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 81207543

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline?
The IUPAC name of 4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline (CID 102941211) is 4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline.
What is the SMILES notation for 4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline?
The canonical SMILES for 4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline is COc1ccc(N)c(S(=O)COCc2ccccc2)c1.
What is the InChIKey of 4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline?
The InChIKey is PKSLMAVLKVNBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-18-13-7-8-14(16)15(9-13)20(17)11-19-10-12-5-3-2-4-6-12/h2-9H,10-11,16H2,1H3.
What are the key properties of 4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline?
4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline has a molecular weight of 291.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline is sourced from PubChem (CID 102941211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).