1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine

C11H17NS — CID 117285815

IUPAC1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine
SMILESCSc1cc(C)c(C)cc1C(C)N
InChIInChI=1S/C11H17NS/c1-7-5-10(9(3)12)11(13-4)6-8(7)2/h5-6,9H,12H2,1-4H3
InChIKeyUWQXFTFFHIAREX-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.05
Rot. Bonds2

About 1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine

1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine (PubChem CID 117285815) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine
PubChem CID117285815
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine
SMILESCSc1cc(C)c(C)cc1C(C)N
InChIInChI=1S/C11H17NS/c1-7-5-10(9(3)12)11(13-4)6-8(7)2/h5-6,9H,12H2,1-4H3
InChIKeyUWQXFTFFHIAREX-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol
CID 117302199
(2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990698
methyl 2-(4,5-dimethyl-2-methylsulfanylphenyl)-2-hydroxyacetate
CID 117353748
2-[4-methyl-2,5-bis(methylsulfanyl)phenyl]propan-1-amine
CID 117355953
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol
CID 84679217
(1S)-1-(4-chloro-2-fluoro-5-methylphenyl)ethanamine
CID 55255941
4-[(1R)-1-aminoethyl]-3-methylaniline
CID 55273899
2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990414
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
(2,4,5-trimethylphenyl)methanediamine
CID 66789754
(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115483792

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine?
The IUPAC name of 1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine (CID 117285815) is 1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine is CSc1cc(C)c(C)cc1C(C)N.
What is the InChIKey of 1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine?
The InChIKey is UWQXFTFFHIAREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-7-5-10(9(3)12)11(13-4)6-8(7)2/h5-6,9H,12H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine?
1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine has a molecular weight of 195.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 117285815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).