4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline

C14H24N2O2S — CID 79850828

IUPAC4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline
SMILESCCNC(C)c1ccc(N(C)CCS(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-15-12(2)13-6-8-14(9-7-13)16(3)10-11-19(4,17)18/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyUHHJCXAFABMWFK-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.84
Rot. Bonds7

About 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline

4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline (PubChem CID 79850828) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline
PubChem CID79850828
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline
SMILESCCNC(C)c1ccc(N(C)CCS(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-15-12(2)13-6-8-14(9-7-13)16(3)10-11-19(4,17)18/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyUHHJCXAFABMWFK-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695069
1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol
CID 62333161
N,N-dimethyl-4-[1-(3-methylsulfonylpropylamino)ethyl]aniline
CID 54904902
6-[1-(ethylamino)propyl]-N-methyl-N-(2-methylsulfonylethyl)pyridin-3-amine
CID 115939736
N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
CID 43284571
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43506894
N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)aniline
CID 79849570
4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide
CID 43507083
N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline
CID 61415085
N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline
CID 43295026
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340342
N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284157

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline (CID 79850828) is 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline is CCNC(C)c1ccc(N(C)CCS(C)(=O)=O)cc1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline?
The InChIKey is UHHJCXAFABMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-15-12(2)13-6-8-14(9-7-13)16(3)10-11-19(4,17)18/h6-9,12,15H,5,10-11H2,1-4H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline?
4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline has a molecular weight of 284.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline is sourced from PubChem (CID 79850828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).