2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol

C15H25NO — CID 130231528

IUPAC2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol
SMILESCC(C)c1cc(N(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H25NO/c1-10(2)12-8-11(16(6)7)9-13(14(12)17)15(3,4)5/h8-10,17H,1-7H3
InChIKeyWUKSPNKOYALXFA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.88
Rot. Bonds2

About 2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol

2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol (PubChem CID 130231528) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol
PubChem CID130231528
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol
SMILESCC(C)c1cc(N(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H25NO/c1-10(2)12-8-11(16(6)7)9-13(14(12)17)15(3,4)5/h8-10,17H,1-7H3
InChIKeyWUKSPNKOYALXFA-UHFFFAOYSA-N
XLogP3.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol?
The IUPAC name of 2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol (CID 130231528) is 2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol.
What is the SMILES notation for 2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol?
The canonical SMILES for 2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol is CC(C)c1cc(N(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol?
The InChIKey is WUKSPNKOYALXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)12-8-11(16(6)7)9-13(14(12)17)15(3,4)5/h8-10,17H,1-7H3.
What are the key properties of 2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol?
2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol has a molecular weight of 235.37 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(dimethylamino)-6-propan-2-ylphenol is sourced from PubChem (CID 130231528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).