(1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine

C12H19NOS — CID 104863256

IUPAC(1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine
SMILESCSCCOc1ccc(C)cc1[C@H](C)N
InChIInChI=1S/C12H19NOS/c1-9-4-5-12(14-6-7-15-3)11(8-9)10(2)13/h4-5,8,10H,6-7,13H2,1-3H3/t10-/m0/s1
InChIKeyGLBCJQZBDHCSQF-JTQLQIEISA-N
MW225.36 g/mol
LogP2.76
Rot. Bonds5

About (1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine

(1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine (PubChem CID 104863256) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine
PubChem CID104863256
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine
SMILESCSCCOc1ccc(C)cc1[C@H](C)N
InChIInChI=1S/C12H19NOS/c1-9-4-5-12(14-6-7-15-3)11(8-9)10(2)13/h4-5,8,10H,6-7,13H2,1-3H3/t10-/m0/s1
InChIKeyGLBCJQZBDHCSQF-JTQLQIEISA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[5-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863285
1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
CID 43504992
(1S)-1-[2-(3-fluoropropoxy)-5-methylphenyl]ethanamine
CID 81106656
(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 78936500
6-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]hexan-1-ol
CID 107702679
4-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]butanenitrile
CID 78936428
1-[2-(3-ethoxypropoxy)-5-methylphenyl]ethanamine
CID 65176238
1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 43505039
1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471489
(1S)-1-(5-methyl-2-pent-3-ynoxyphenyl)ethanamine
CID 104805203
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine (CID 104863256) is (1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine is CSCCOc1ccc(C)cc1[C@H](C)N.
What is the InChIKey of (1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine?
The InChIKey is GLBCJQZBDHCSQF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-4-5-12(14-6-7-15-3)11(8-9)10(2)13/h4-5,8,10H,6-7,13H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine?
(1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-methyl-2-(2-methylsulfanylethoxy)phenyl]ethanamine is sourced from PubChem (CID 104863256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).