4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline

C11H17NO3S — CID 62872422

IUPAC4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline
SMILESCOc1ccc(NCCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C11H17NO3S/c1-9-8-10(15-2)4-5-11(9)12-6-7-16(3,13)14/h4-5,8,12H,6-7H2,1-3H3
InChIKeyAHHNOJDMZDMQFK-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.46
Rot. Bonds5

About 4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline

4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline (PubChem CID 62872422) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline
PubChem CID62872422
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline
SMILESCOc1ccc(NCCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C11H17NO3S/c1-9-8-10(15-2)4-5-11(9)12-6-7-16(3,13)14/h4-5,8,12H,6-7H2,1-3H3
InChIKeyAHHNOJDMZDMQFK-UHFFFAOYSA-N
XLogP1.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-methyl-N-(3-methylsulfonylpropyl)aniline
CID 55160613
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-(2-ethoxyethyl)-4-methoxy-2-methylaniline
CID 62872971
5-methoxy-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 79035630
4-methoxy-2-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 62872602
4-methoxy-2-methyl-N-nonylaniline
CID 63492120
4-methoxy-N-(3-methoxy-3-methylbutyl)-2-methylaniline
CID 102975776
2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine
CID 114110496
2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide
CID 106333993
1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one
CID 62873354
4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 60918123
3-(ethylamino)-N-(4-methoxy-2-methylphenyl)propane-1-sulfonamide
CID 106056028

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline?
The IUPAC name of 4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline (CID 62872422) is 4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline.
What is the SMILES notation for 4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline?
The canonical SMILES for 4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline is COc1ccc(NCCS(C)(=O)=O)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline?
The InChIKey is AHHNOJDMZDMQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-8-10(15-2)4-5-11(9)12-6-7-16(3,13)14/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline?
4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline has a molecular weight of 243.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline is sourced from PubChem (CID 62872422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).