5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol

C15H25NO — CID 82977725

IUPAC5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol
SMILESCCC(C)CN(C)C(C)c1ccc(C)cc1O
InChIInChI=1S/C15H25NO/c1-6-11(2)10-16(5)13(4)14-8-7-12(3)9-15(14)17/h7-9,11,13,17H,6,10H2,1-5H3
InChIKeyPGXKWLLIEUNETN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.74
Rot. Bonds5

About 5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol

5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol (PubChem CID 82977725) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol
PubChem CID82977725
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol
SMILESCCC(C)CN(C)C(C)c1ccc(C)cc1O
InChIInChI=1S/C15H25NO/c1-6-11(2)10-16(5)13(4)14-8-7-12(3)9-15(14)17/h7-9,11,13,17H,6,10H2,1-5H3
InChIKeyPGXKWLLIEUNETN-UHFFFAOYSA-N
XLogP3.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol
CID 82977822
5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol
CID 82977659
5-methyl-2-pentan-3-ylphenol
CID 67240040
bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methylphenol
CID 104582213
2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol
CID 82978084
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]-5-methylphenol
CID 104980904
3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
CID 105400828
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol (CID 82977725) is 5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol is CCC(C)CN(C)C(C)c1ccc(C)cc1O.
What is the InChIKey of 5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol?
The InChIKey is PGXKWLLIEUNETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-11(2)10-16(5)13(4)14-8-7-12(3)9-15(14)17/h7-9,11,13,17H,6,10H2,1-5H3.
What are the key properties of 5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol?
5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol has a molecular weight of 235.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol is sourced from PubChem (CID 82977725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).