2-butyl-6-(dimethylamino)-4-methylphenol

C13H21NO — CID 67848119

IUPAC2-butyl-6-(dimethylamino)-4-methylphenol
SMILESCCCCc1cc(C)cc(N(C)C)c1O
InChIInChI=1S/C13H21NO/c1-5-6-7-11-8-10(2)9-12(13(11)15)14(3)4/h8-9,15H,5-7H2,1-4H3
InChIKeyWVBWCFVRBLVSAN-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.11
Rot. Bonds4

About 2-butyl-6-(dimethylamino)-4-methylphenol

2-butyl-6-(dimethylamino)-4-methylphenol (PubChem CID 67848119) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-butyl-6-(dimethylamino)-4-methylphenol.

Molecular Properties

Compound Name2-butyl-6-(dimethylamino)-4-methylphenol
PubChem CID67848119
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-butyl-6-(dimethylamino)-4-methylphenol
SMILESCCCCc1cc(C)cc(N(C)C)c1O
InChIInChI=1S/C13H21NO/c1-5-6-7-11-8-10(2)9-12(13(11)15)14(3)4/h8-9,15H,5-7H2,1-4H3
InChIKeyWVBWCFVRBLVSAN-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol
CID 20661068
2-hexyl-6-[(3-hexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 3293989
2-butyl-6-[(3-butyl-2-hydroxy-5-methylphenyl)disulfanyl]-4-methylphenol
CID 139889373
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
2,3-dibutyl-5-methylphenol
CID 151375054
2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol
CID 101311656
2,3,5-triheptylbenzene-1,4-diol
CID 139946372
2,3,5-tri(nonyl)benzene-1,4-diol
CID 139946381
4-butyl-2,6-didodecylphenol
CID 66619638
2-butyl-4-methyl-6-(1-methylcyclohexyl)phenol
CID 170673548
2-ethyl-4-methyl-6-propylphenol
CID 66879780
2,6-di(undecyl)benzene-1,4-diol
CID 139946395

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(dimethylamino)-4-methylphenol?
The IUPAC name of 2-butyl-6-(dimethylamino)-4-methylphenol (CID 67848119) is 2-butyl-6-(dimethylamino)-4-methylphenol.
What is the SMILES notation for 2-butyl-6-(dimethylamino)-4-methylphenol?
The canonical SMILES for 2-butyl-6-(dimethylamino)-4-methylphenol is CCCCc1cc(C)cc(N(C)C)c1O.
What is the InChIKey of 2-butyl-6-(dimethylamino)-4-methylphenol?
The InChIKey is WVBWCFVRBLVSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-6-7-11-8-10(2)9-12(13(11)15)14(3)4/h8-9,15H,5-7H2,1-4H3.
What are the key properties of 2-butyl-6-(dimethylamino)-4-methylphenol?
2-butyl-6-(dimethylamino)-4-methylphenol has a molecular weight of 207.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(dimethylamino)-4-methylphenol is sourced from PubChem (CID 67848119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).