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

C12H19NO2S — CID 62732395

IUPAC2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
SMILESCCOc1cccc(CNCCSC)c1O
InChIInChI=1S/C12H19NO2S/c1-3-15-11-6-4-5-10(12(11)14)9-13-7-8-16-2/h4-6,13-14H,3,7-9H2,1-2H3
InChIKeyRIIWGWPAAIJNKC-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.24
Rot. Bonds7

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

2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol (PubChem CID 62732395) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
PubChem CID62732395
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
SMILESCCOc1cccc(CNCCSC)c1O
InChIInChI=1S/C12H19NO2S/c1-3-15-11-6-4-5-10(12(11)14)9-13-7-8-16-2/h4-6,13-14H,3,7-9H2,1-2H3
InChIKeyRIIWGWPAAIJNKC-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
2-ethoxy-6-[(3-methylsulfanylbutylamino)methyl]phenol
CID 115604282
2-ethoxy-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61238543
2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 112553913
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide
CID 43551896
2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol
CID 103701805
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
CID 61459821
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol
CID 114941057
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
3-[(3-ethoxy-2-hydroxyphenyl)methylamino]propane-1,2-diol
CID 66174868

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol (CID 62732395) is 2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol is CCOc1cccc(CNCCSC)c1O.
What is the InChIKey of 2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol?
The InChIKey is RIIWGWPAAIJNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-15-11-6-4-5-10(12(11)14)9-13-7-8-16-2/h4-6,13-14H,3,7-9H2,1-2H3.
What are the key properties of 2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol?
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol has a molecular weight of 241.36 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol is sourced from PubChem (CID 62732395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).