1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine

C13H21NOS — CID 115720774

IUPAC1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
SMILESCc1ccc(C(C)NCCS(C)=O)c(C)c1
InChIInChI=1S/C13H21NOS/c1-10-5-6-13(11(2)9-10)12(3)14-7-8-16(4)15/h5-6,9,12,14H,7-8H2,1-4H3
InChIKeyGLWDOPSPEUQHLO-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.33
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine

1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine (PubChem CID 115720774) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
PubChem CID115720774
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
SMILESCc1ccc(C(C)NCCS(C)=O)c(C)c1
InChIInChI=1S/C13H21NOS/c1-10-5-6-13(11(2)9-10)12(3)14-7-8-16(4)15/h5-6,9,12,14H,7-8H2,1-4H3
InChIKeyGLWDOPSPEUQHLO-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 113261692
1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780969
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate
CID 43139725
N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634705
3-fluoro-4-[1-(2-methylsulfinylethylamino)ethyl]phenol
CID 107715438
2-[1-(2,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901862
1-(2,4-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 55174442
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 43185231

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine (CID 115720774) is 1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine is Cc1ccc(C(C)NCCS(C)=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine?
The InChIKey is GLWDOPSPEUQHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-5-6-13(11(2)9-10)12(3)14-7-8-16(4)15/h5-6,9,12,14H,7-8H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine?
1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine has a molecular weight of 239.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine is sourced from PubChem (CID 115720774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).