2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine

C12H19NS — CID 64990414

IUPAC2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCSCC(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C12H19NS/c1-8-5-10(3)11(6-9(8)2)12(13)7-14-4/h5-6,12H,7,13H2,1-4H3
InChIKeyYVIFYRWDNZOSDR-UHFFFAOYSA-N
MW209.36 g/mol
LogP2.97
Rot. Bonds3

About 2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine

2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 64990414) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID64990414
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCSCC(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C12H19NS/c1-8-5-10(3)11(6-9(8)2)12(13)7-14-4/h5-6,12H,7,13H2,1-4H3
InChIKeyYVIFYRWDNZOSDR-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylethanamine
CID 116830345
2-chloro-1-(2,4,5-trimethylphenyl)ethanamine
CID 116937565
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 65139652
2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66086595
(2,4,5-trimethylphenyl)methanediamine
CID 66789754
2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66147252
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
CID 116830356
2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 82295585
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
[3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine
CID 105312908
2-amino-2-(4,5-dimethyl-2-methylsulfanylphenyl)ethanol
CID 117302199

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of 2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine (CID 64990414) is 2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for 2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine is CSCC(N)c1cc(C)c(C)cc1C.
What is the InChIKey of 2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is YVIFYRWDNZOSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-8-5-10(3)11(6-9(8)2)12(13)7-14-4/h5-6,12H,7,13H2,1-4H3.
What are the key properties of 2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 209.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 64990414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).