2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol

C11H17NOS — CID 112553913

IUPAC2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
SMILESCSCCNCc1cccc(C)c1O
InChIInChI=1S/C11H17NOS/c1-9-4-3-5-10(11(9)13)8-12-6-7-14-2/h3-5,12-13H,6-8H2,1-2H3
InChIKeyPRSCPHXLOWUVSR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.15
Rot. Bonds5

About 2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol

2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol (PubChem CID 112553913) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
PubChem CID112553913
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
SMILESCSCCNCc1cccc(C)c1O
InChIInChI=1S/C11H17NOS/c1-9-4-3-5-10(11(9)13)8-12-6-7-14-2/h3-5,12-13H,6-8H2,1-2H3
InChIKeyPRSCPHXLOWUVSR-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60658226
2-methyl-6-[(2-prop-2-enylsulfanylethylamino)methyl]phenol
CID 115907019
2-(butylaminomethyl)-6-methylphenol
CID 82669937
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 62732395
3-[(4-methylsulfanylbutylamino)methyl]benzene-1,2-diol
CID 115978613
3-[(2-hydroxy-3-methylphenyl)methylamino]propanoic acid
CID 112606379
N-[(2,3-dimethylphenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639268
2-methyl-6-[(3-methylsulfinylpropylamino)methyl]phenol
CID 115907587
2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
CID 115908380
2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
CID 112554008
2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol
CID 103923895
4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol
CID 63983272

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol?
The IUPAC name of 2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol (CID 112553913) is 2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol.
What is the SMILES notation for 2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol?
The canonical SMILES for 2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol is CSCCNCc1cccc(C)c1O.
What is the InChIKey of 2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol?
The InChIKey is PRSCPHXLOWUVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-4-3-5-10(11(9)13)8-12-6-7-14-2/h3-5,12-13H,6-8H2,1-2H3.
What are the key properties of 2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol?
2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol has a molecular weight of 211.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol is sourced from PubChem (CID 112553913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).