3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine

C14H23NO2S — CID 60714061

IUPAC3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine
SMILESCC(C)CC(NCCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-12(2)11-14(13-7-5-4-6-8-13)15-9-10-18(3,16)17/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyAMYUDGZPMQDKME-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.41
Rot. Bonds7

About 3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine

3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine (PubChem CID 60714061) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine
PubChem CID60714061
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine
SMILESCC(C)CC(NCCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-12(2)11-14(13-7-5-4-6-8-13)15-9-10-18(3,16)17/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyAMYUDGZPMQDKME-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylsulfanylethyl)-1-phenylbutan-1-amine
CID 60697526
2-[(3-methyl-1-phenylbutyl)amino]acetic acid
CID 43135143
1,1-dimethyl-3-[2-[(3-methyl-1-phenylbutyl)amino]ethyl]urea
CID 83117113
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904029
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
CID 60920037
1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 60713855
2-[(3-methyl-1-phenylbutyl)amino]acetamide
CID 16774188
N-[2-(2-methylsulfonylethylsulfinyl)-1-phenylethyl]propan-1-amine
CID 64676485
3-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 43096327
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 54932076

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine (CID 60714061) is 3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine is CC(C)CC(NCCS(C)(=O)=O)c1ccccc1.
What is the InChIKey of 3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine?
The InChIKey is AMYUDGZPMQDKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-12(2)11-14(13-7-5-4-6-8-13)15-9-10-18(3,16)17/h4-8,12,14-15H,9-11H2,1-3H3.
What are the key properties of 3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine?
3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 60714061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).