N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine

C15H25NO2S — CID 64652051

IUPACN-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine
SMILESCCNC(CS(=O)CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2S/c1-5-16-15(11-19(17)10-12(2)3)13-6-8-14(18-4)9-7-13/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyZJHBQKOBHDCAII-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.75
Rot. Bonds8

About N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine

N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine (PubChem CID 64652051) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine
PubChem CID64652051
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine
SMILESCCNC(CS(=O)CC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2S/c1-5-16-15(11-19(17)10-12(2)3)13-6-8-14(18-4)9-7-13/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyZJHBQKOBHDCAII-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethyl]propan-1-amine
CID 64651022
N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine
CID 64652367
N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64652092
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
2-butan-2-ylsulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64658169
N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine
CID 64652293
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine
CID 64651646
N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine
CID 104804297
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine (CID 64652051) is N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine is CCNC(CS(=O)CC(C)C)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine?
The InChIKey is ZJHBQKOBHDCAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-16-15(11-19(17)10-12(2)3)13-6-8-14(18-4)9-7-13/h6-9,12,15-16H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine?
N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine is sourced from PubChem (CID 64652051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).