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

C11H17NOS — CID 63983272

IUPAC4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol
SMILESCSCCNCc1cc(C)ccc1O
InChIInChI=1S/C11H17NOS/c1-9-3-4-11(13)10(7-9)8-12-5-6-14-2/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyYOPYYGHZFCYSTQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.15
Rot. Bonds5

About 4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol

4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol (PubChem CID 63983272) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol
PubChem CID63983272
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol
SMILESCSCCNCc1cc(C)ccc1O
InChIInChI=1S/C11H17NOS/c1-9-3-4-11(13)10(7-9)8-12-5-6-14-2/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyYOPYYGHZFCYSTQ-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-methoxy-5-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60663713
2-[[3-(dimethylamino)propylamino]methyl]-4-methylphenol
CID 21057500
4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78959999
4-fluoro-2-[(3-methylsulfanylpropylamino)methyl]phenol
CID 103948827
4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 63325666
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
CID 101326279
N-[(2,5-dimethylphenyl)methyl]-6-methylsulfanylhexan-1-amine
CID 114124881
2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
CID 63323116
2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
5-[(2-hydroxy-5-methylphenyl)methylamino]pentanenitrile
CID 115625650
4-fluoro-2-[(4-methylsulfanylbutylamino)methyl]phenol
CID 103948804
2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 112553913

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol?
The IUPAC name of 4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol (CID 63983272) is 4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol.
What is the SMILES notation for 4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol?
The canonical SMILES for 4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol is CSCCNCc1cc(C)ccc1O.
What is the InChIKey of 4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol?
The InChIKey is YOPYYGHZFCYSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-3-4-11(13)10(7-9)8-12-5-6-14-2/h3-4,7,12-13H,5-6,8H2,1-2H3.
What are the key properties of 4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol?
4-methyl-2-[(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 4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol is sourced from PubChem (CID 63983272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).