N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine

C14H23NO2S — CID 113422155

IUPACN-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine
SMILESCCNC(Cc1ccccc1C)C(C)S(C)(=O)=O
InChIInChI=1S/C14H23NO2S/c1-5-15-14(12(3)18(4,16)17)10-13-9-7-6-8-11(13)2/h6-9,12,14-15H,5,10H2,1-4H3
InChIKeyFJMDVMCNRQTKKA-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.95
Rot. Bonds6

About N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine

N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine (PubChem CID 113422155) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine
PubChem CID113422155
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine
SMILESCCNC(Cc1ccccc1C)C(C)S(C)(=O)=O
InChIInChI=1S/C14H23NO2S/c1-5-15-14(12(3)18(4,16)17)10-13-9-7-6-8-11(13)2/h6-9,12,14-15H,5,10H2,1-4H3
InChIKeyFJMDVMCNRQTKKA-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 60818877
1-(2,4-difluorophenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 104519997
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 106866902
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
N-[1-(2-methylphenyl)propan-2-yl]ethanesulfonamide
CID 47372753
1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62473098
1-(2,5-dimethylphenyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 104519964
1-(3,4-dimethylphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 104519960
N-ethyl-3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]butan-2-amine
CID 64676244
N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine
CID 63833817
3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 63528106
N-ethyl-2-(2-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475769

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine?
The IUPAC name of N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine (CID 113422155) is N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine is CCNC(Cc1ccccc1C)C(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine?
The InChIKey is FJMDVMCNRQTKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-15-14(12(3)18(4,16)17)10-13-9-7-6-8-11(13)2/h6-9,12,14-15H,5,10H2,1-4H3.
What are the key properties of N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine?
N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylphenyl)-3-methylsulfonylbutan-2-amine is sourced from PubChem (CID 113422155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).