4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine

C14H23NO3S — CID 105044402

IUPAC4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine
SMILESCNC(c1ccc(S(C)(=O)=O)cc1)C(C)CCOC
InChIInChI=1S/C14H23NO3S/c1-11(9-10-18-3)14(15-2)12-5-7-13(8-6-12)19(4,16)17/h5-8,11,14-15H,9-10H2,1-4H3
InChIKeyPJEFGLXURNWDAB-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.02
Rot. Bonds7

About 4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine

4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine (PubChem CID 105044402) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine
PubChem CID105044402
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine
SMILESCNC(c1ccc(S(C)(=O)=O)cc1)C(C)CCOC
InChIInChI=1S/C14H23NO3S/c1-11(9-10-18-3)14(15-2)12-5-7-13(8-6-12)19(4,16)17/h5-8,11,14-15H,9-10H2,1-4H3
InChIKeyPJEFGLXURNWDAB-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N,2-dimethyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 105044611
N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide
CID 82715379
2-methoxyethyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium
CID 6991958
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
3-(methylamino)-3-(4-methylsulfonylphenyl)propane-1-thiol
CID 116831435
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
N,2-dimethyl-5-methylsulfonyl-1-phenylpentan-1-amine
CID 104845309
2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 119704976
(1S)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 171217927
2,2-dimethyl-3-(methylamino)-3-(4-methylsulfonylphenyl)propanenitrile
CID 116955743
(1R)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine;hydrochloride
CID 171198410
2,2-dimethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]ethanamine
CID 60817783

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine?
The IUPAC name of 4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine (CID 105044402) is 4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine?
The canonical SMILES for 4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine is CNC(c1ccc(S(C)(=O)=O)cc1)C(C)CCOC.
What is the InChIKey of 4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine?
The InChIKey is PJEFGLXURNWDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(9-10-18-3)14(15-2)12-5-7-13(8-6-12)19(4,16)17/h5-8,11,14-15H,9-10H2,1-4H3.
What are the key properties of 4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine?
4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2-dimethyl-1-(4-methylsulfonylphenyl)butan-1-amine is sourced from PubChem (CID 105044402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).