4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline

C11H18N2O2S — CID 60917459

IUPAC4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
SMILESCN(CCS(C)(=O)=O)Cc1ccc(N)cc1
InChIInChI=1S/C11H18N2O2S/c1-13(7-8-16(2,14)15)9-10-3-5-11(12)6-4-10/h3-6H,7-9,12H2,1-2H3
InChIKeyOTDFLMBGCAGZLT-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.75
Rot. Bonds5

About 4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline

4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline (PubChem CID 60917459) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
PubChem CID60917459
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
SMILESCN(CCS(C)(=O)=O)Cc1ccc(N)cc1
InChIInChI=1S/C11H18N2O2S/c1-13(7-8-16(2,14)15)9-10-3-5-11(12)6-4-10/h3-6H,7-9,12H2,1-2H3
InChIKeyOTDFLMBGCAGZLT-UHFFFAOYSA-N
XLogP0.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 54939511
N-methyl-2-methylsulfonyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438475
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
2-bromo-4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 79864416
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043
N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 79859507
N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 23507168
[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol
CID 110009651
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571
4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849708
3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 79672837
N-[(4-aminophenyl)methyl]-N-ethyl-2-methylsulfonylethanesulfonamide
CID 63245077

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline?
The IUPAC name of 4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline (CID 60917459) is 4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline?
The canonical SMILES for 4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline is CN(CCS(C)(=O)=O)Cc1ccc(N)cc1.
What is the InChIKey of 4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline?
The InChIKey is OTDFLMBGCAGZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-13(7-8-16(2,14)15)9-10-3-5-11(12)6-4-10/h3-6H,7-9,12H2,1-2H3.
What are the key properties of 4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline?
4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline has a molecular weight of 242.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline is sourced from PubChem (CID 60917459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).