2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol

C15H25NO — CID 82981814

IUPAC2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CN(C)C(C)C(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-11-7-8-14(17)13(9-11)10-16(6)12(2)15(3,4)5/h7-9,12,17H,10H2,1-6H3
InChIKeyYBYLBKHOIYNWPX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.57
Rot. Bonds3

About 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol

2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol (PubChem CID 82981814) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol
PubChem CID82981814
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CN(C)C(C)C(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-11-7-8-14(17)13(9-11)10-16(6)12(2)15(3,4)5/h7-9,12,17H,10H2,1-6H3
InChIKeyYBYLBKHOIYNWPX-UHFFFAOYSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.57
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-bromo-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol
CID 82981508
4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976772
4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol
CID 82982203
2-[(2-hydroxy-5-methylphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65061038
N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117043979
N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
CID 130034284
2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol
CID 55205892
4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 63327011
4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]aniline
CID 113281322
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
4-methyl-2-[[pentyl(propan-2-yl)amino]methyl]phenol
CID 82978818
4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 63325666

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol?
The IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol (CID 82981814) is 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol is Cc1ccc(O)c(CN(C)C(C)C(C)(C)C)c1.
What is the InChIKey of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol?
The InChIKey is YBYLBKHOIYNWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-7-8-14(17)13(9-11)10-16(6)12(2)15(3,4)5/h7-9,12,17H,10H2,1-6H3.
What are the key properties of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol?
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol has a molecular weight of 235.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-methylphenol is sourced from PubChem (CID 82981814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).