2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline

C16H19NO3S — CID 81186674

IUPAC2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline
SMILESCOc1ccccc1OCCS(=O)c1cccc(C)c1N
InChIInChI=1S/C16H19NO3S/c1-12-6-5-9-15(16(12)17)21(18)11-10-20-14-8-4-3-7-13(14)19-2/h3-9H,10-11,17H2,1-2H3
InChIKeyZTOHMMOIVPHOAO-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.77
Rot. Bonds6

About 2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline

2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline (PubChem CID 81186674) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline
PubChem CID81186674
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline
SMILESCOc1ccccc1OCCS(=O)c1cccc(C)c1N
InChIInChI=1S/C16H19NO3S/c1-12-6-5-9-15(16(12)17)21(18)11-10-20-14-8-4-3-7-13(14)19-2/h3-9H,10-11,17H2,1-2H3
InChIKeyZTOHMMOIVPHOAO-UHFFFAOYSA-N
XLogP2.77
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.77
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

2-[2-(4-bromophenoxy)ethylsulfinyl]-6-methylaniline
CID 81187182
2-(4-methoxybutylsulfinyl)-6-methylaniline
CID 104651016
2-(2-ethylsulfonylethylsulfinyl)-6-methylaniline
CID 81187751
2-methyl-6-octylsulfinylaniline
CID 81187755
2-[(4-methoxyphenyl)methylsulfinyl]-6-methylaniline
CID 81186594
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
5-[(2-amino-3-methylphenyl)sulfinylmethyl]-2-methoxybenzonitrile
CID 81187266
2-[3-(4-methoxyphenyl)sulfinylpropoxy]aniline
CID 61302811
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
2-(2-aminoethoxy)-6-methylaniline
CID 82502971
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
2-(cyclopropylmethoxymethylsulfinyl)-6-methylaniline
CID 106931531

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline (CID 81186674) is 2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline is COc1ccccc1OCCS(=O)c1cccc(C)c1N.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline?
The InChIKey is ZTOHMMOIVPHOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-6-5-9-15(16(12)17)21(18)11-10-20-14-8-4-3-7-13(14)19-2/h3-9H,10-11,17H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline?
2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline has a molecular weight of 305.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethylsulfinyl]-6-methylaniline is sourced from PubChem (CID 81186674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).