5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol

C15H25NO — CID 82977659

IUPAC5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol
SMILESCc1ccc(C(C)N(C)C(C)C(C)C)c(O)c1
InChIInChI=1S/C15H25NO/c1-10(2)12(4)16(6)13(5)14-8-7-11(3)9-15(14)17/h7-10,12-13,17H,1-6H3
InChIKeyIHMHBMAQYRHHRZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.74
Rot. Bonds4

About 5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol

5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol (PubChem CID 82977659) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol
PubChem CID82977659
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol
SMILESCc1ccc(C(C)N(C)C(C)C(C)C)c(O)c1
InChIInChI=1S/C15H25NO/c1-10(2)12(4)16(6)13(5)14-8-7-11(3)9-15(14)17/h7-10,12-13,17H,1-6H3
InChIKeyIHMHBMAQYRHHRZ-UHFFFAOYSA-N
XLogP3.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

5-methyl-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol
CID 82977725
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
2-[1-(N,2-dimethylanilino)ethyl]-5-methylphenol
CID 82978084
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199
2-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-5-methylphenol
CID 131423163
2-(1-amino-2,2-dimethylpropyl)-5-methylphenol
CID 130043389
5-methyl-2-propan-2-ylphenol;phosphoric acid
CID 67743419
5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol
CID 70978775
5-methyl-2-pentan-3-ylphenol
CID 67240040

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol (CID 82977659) is 5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol is Cc1ccc(C(C)N(C)C(C)C(C)C)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol?
The InChIKey is IHMHBMAQYRHHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)12(4)16(6)13(5)14-8-7-11(3)9-15(14)17/h7-10,12-13,17H,1-6H3.
What are the key properties of 5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol?
5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol has a molecular weight of 235.37 g/mol, XLogP of 3.74, 4 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(3-methylbutan-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 82977659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).