2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol

C15H25NO — CID 102673408

IUPAC2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol
SMILESCc1cccc(CNCC(C)(C)C(C)C)c1O
InChIInChI=1S/C15H25NO/c1-11(2)15(4,5)10-16-9-13-8-6-7-12(3)14(13)17/h6-8,11,16-17H,9-10H2,1-5H3
InChIKeyAXEUYSVZMOSENW-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.47
Rot. Bonds5

About 2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol

2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol (PubChem CID 102673408) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol
PubChem CID102673408
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol
SMILESCc1cccc(CNCC(C)(C)C(C)C)c1O
InChIInChI=1S/C15H25NO/c1-11(2)15(4,5)10-16-9-13-8-6-7-12(3)14(13)17/h6-8,11,16-17H,9-10H2,1-5H3
InChIKeyAXEUYSVZMOSENW-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-6-methylphenol
CID 112555005
tert-butyl 2-[(2-hydroxy-3-methylphenyl)methylamino]acetate
CID 112607107
2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol
CID 109380074
2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
CID 112554008
2-[[(3-methoxy-2-methylpropyl)amino]methyl]-6-methylphenol
CID 112554372
2-(butylaminomethyl)-6-methylphenol
CID 82669937
2-[(2,2,3-trimethylbutylamino)methyl]benzonitrile
CID 102609962
2-methyl-6-[2-(methylamino)propyl]phenol
CID 14265623
2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 112553913
2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol
CID 112554384
2-methyl-6-[(5-methylhexan-2-ylamino)methyl]phenol
CID 112553862
3-[(2-hydroxy-3-methylphenyl)methylamino]propanoic acid
CID 112606379

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol?
The IUPAC name of 2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol (CID 102673408) is 2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol.
What is the SMILES notation for 2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol?
The canonical SMILES for 2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol is Cc1cccc(CNCC(C)(C)C(C)C)c1O.
What is the InChIKey of 2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol?
The InChIKey is AXEUYSVZMOSENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)15(4,5)10-16-9-13-8-6-7-12(3)14(13)17/h6-8,11,16-17H,9-10H2,1-5H3.
What are the key properties of 2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol?
2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol has a molecular weight of 235.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2,2,3-trimethylbutylamino)methyl]phenol is sourced from PubChem (CID 102673408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).