N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine

C15H25NO2S — CID 104518445

IUPACN-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine
SMILESCNC(c1ccc(CC(C)C)cc1)C(C)S(C)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-11(2)10-13-6-8-14(9-7-13)15(16-4)12(3)19(5,17)18/h6-9,11-12,15-16H,10H2,1-5H3
InChIKeyBMSGUMCNGHSINP-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.58
Rot. Bonds6

About N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine

N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine (PubChem CID 104518445) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine
PubChem CID104518445
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine
SMILESCNC(c1ccc(CC(C)C)cc1)C(C)S(C)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-11(2)10-13-6-8-14(9-7-13)15(16-4)12(3)19(5,17)18/h6-9,11-12,15-16H,10H2,1-5H3
InChIKeyBMSGUMCNGHSINP-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 104518447
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104518492
[2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine
CID 105303830
1-(4-butylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518607
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
2-(3-methylbutan-2-ylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 107759222
sodium (2S)-2-[4-(2-methylpropyl)phenyl]propane-1-sulfonate
CID 139750072
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204673

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine (CID 104518445) is N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine is CNC(c1ccc(CC(C)C)cc1)C(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine?
The InChIKey is BMSGUMCNGHSINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-11(2)10-13-6-8-14(9-7-13)15(16-4)12(3)19(5,17)18/h6-9,11-12,15-16H,10H2,1-5H3.
What are the key properties of N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine?
N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 104518445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).