N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine

C14H23NO4S — CID 64629515

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCOc1ccc(C(C)NC(C)CS(C)(=O)=O)c(OC)c1
InChIInChI=1S/C14H23NO4S/c1-10(9-20(5,16)17)15-11(2)13-7-6-12(18-3)8-14(13)19-4/h6-8,10-11,15H,9H2,1-5H3
InChIKeyYHSALLCPLHKASY-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.79
Rot. Bonds7

About N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine

N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine (PubChem CID 64629515) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine
PubChem CID64629515
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCOc1ccc(C(C)NC(C)CS(C)(=O)=O)c(OC)c1
InChIInChI=1S/C14H23NO4S/c1-10(9-20(5,16)17)15-11(2)13-7-6-12(18-3)8-14(13)19-4/h6-8,10-11,15H,9H2,1-5H3
InChIKeyYHSALLCPLHKASY-UHFFFAOYSA-N
XLogP1.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine
CID 115889887
(2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 97322629
1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55112186
N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387329
1-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]methanesulfonamide
CID 83083839
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol
CID 115722852
4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol
CID 119165274
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448
2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944858
N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776970
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine (CID 64629515) is N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine is COc1ccc(C(C)NC(C)CS(C)(=O)=O)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is YHSALLCPLHKASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-10(9-20(5,16)17)15-11(2)13-7-6-12(18-3)8-14(13)19-4/h6-8,10-11,15H,9H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine?
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 301.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 64629515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).