4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline

C14H23NO3S — CID 115916635

IUPAC4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline
SMILESCCOc1ccc(NC(C)CS(=O)(=O)CC)c(C)c1
InChIInChI=1S/C14H23NO3S/c1-5-18-13-7-8-14(11(3)9-13)15-12(4)10-19(16,17)6-2/h7-9,12,15H,5-6,10H2,1-4H3
InChIKeyGDRBGZODNYQZIV-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.63
Rot. Bonds7

About 4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline

4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline (PubChem CID 115916635) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline.

Molecular Properties

Compound Name4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline
PubChem CID115916635
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline
SMILESCCOc1ccc(NC(C)CS(=O)(=O)CC)c(C)c1
InChIInChI=1S/C14H23NO3S/c1-5-18-13-7-8-14(11(3)9-13)15-12(4)10-19(16,17)6-2/h7-9,12,15H,5-6,10H2,1-4H3
InChIKeyGDRBGZODNYQZIV-UHFFFAOYSA-N
XLogP2.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.63
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

N-(2,6-dimethylheptan-4-yl)-4-ethoxy-2-methylaniline
CID 63450960
N-(4-ethoxy-2-methylphenyl)ethanesulfonamide
CID 61063373
4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline
CID 114829365
4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline
CID 60935377
4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 60936269
2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
CID 107904117
2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933889
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
N-[1-(2,5-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline
CID 63451223
N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline
CID 63451092
N-(4-ethoxy-2-methylphenyl)methanesulfinamide
CID 145156029
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline?
The IUPAC name of 4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline (CID 115916635) is 4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline.
What is the SMILES notation for 4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline?
The canonical SMILES for 4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline is CCOc1ccc(NC(C)CS(=O)(=O)CC)c(C)c1.
What is the InChIKey of 4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline?
The InChIKey is GDRBGZODNYQZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-18-13-7-8-14(11(3)9-13)15-12(4)10-19(16,17)6-2/h7-9,12,15H,5-6,10H2,1-4H3.
What are the key properties of 4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline?
4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline has a molecular weight of 285.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline is sourced from PubChem (CID 115916635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).