1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine

C12H19NS — CID 62691947

IUPAC1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)c1cccc(C)c1C
InChIInChI=1S/C12H19NS/c1-9-6-5-7-11(10(9)2)12(13-3)8-14-4/h5-7,12-13H,8H2,1-4H3
InChIKeyHYTANMODDFGDGE-UHFFFAOYSA-N
MW209.36 g/mol
LogP2.93
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine

1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine (PubChem CID 62691947) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine
PubChem CID62691947
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine
SMILESCNC(CSC)c1cccc(C)c1C
InChIInChI=1S/C12H19NS/c1-9-6-5-7-11(10(9)2)12(13-3)8-14-4/h5-7,12-13H,8H2,1-4H3
InChIKeyHYTANMODDFGDGE-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
1-(2,3-dimethylphenyl)-2-(2-methoxyethoxy)-N-methylethanamine
CID 114032782
1-(2,3-dimethylphenyl)-2-methylsulfanylethanol
CID 62692978
1-(2,3-dimethylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 115850527
1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 62692362
1-(2,3-dimethylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844094
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
1,2-dimethyl-3-(1-methylsulfanylethyl)benzene
CID 86182436
1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107102959
3-[(1R)-2-hydroxy-1-(methylamino)ethyl]-2-methylphenol
CID 130722281
2-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 115823499
N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649227

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine (CID 62691947) is 1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine is CNC(CSC)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine?
The InChIKey is HYTANMODDFGDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9-6-5-7-11(10(9)2)12(13-3)8-14-4/h5-7,12-13H,8H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine?
1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine has a molecular weight of 209.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 62691947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).