6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol

C15H25NO — CID 22101590

IUPAC6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol
SMILESCc1c(CN(C)C)cc(C(C)(C)C)c(O)c1C
InChIInChI=1S/C15H25NO/c1-10-11(2)14(17)13(15(3,4)5)8-12(10)9-16(6)7/h8,17H,9H2,1-7H3
InChIKeyONTQNSMWUGQQOX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.37
Rot. Bonds2

About 6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol

6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol (PubChem CID 22101590) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol.

Molecular Properties

Compound Name6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol
PubChem CID22101590
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol
SMILESCc1c(CN(C)C)cc(C(C)(C)C)c(O)c1C
InChIInChI=1S/C15H25NO/c1-10-11(2)14(17)13(15(3,4)5)8-12(10)9-16(6)7/h8,17H,9H2,1-7H3
InChIKeyONTQNSMWUGQQOX-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-4-[(2,2-dimethylhydrazinyl)methyl]-2,3-dimethylphenol
CID 57063776
(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)methylphosphonic acid
CID 22101595
3-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-N-methyl-N-tetracosylpropanamide
CID 54302474
[3-tert-butyl-5-[(dimethylamino)methyl]-4-hydroxyphenyl]-thiophen-2-ylmethanone;hydrochloride
CID 14751263
4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol
CID 11236289
1-(2-tert-butylphenyl)-N,N-dimethylmethanamine
CID 21304895
6-tert-butyl-2,3,4-trimethylphenol;2,6-ditert-butyl-4-methylphenol;methane
CID 159742273
2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol;2,6-ditert-butyl-4-(ethylaminomethyl)phenol;chloride
CID 160526279
3,6-ditert-butyl-1-[(dimethylamino)methyl]naphthalen-2-ol
CID 142771397
bis[1-[3-tert-butyl-5-[(dimethylamino)methyl]-4-hydroxyphenyl]naphthalen-2-yl]methanone
CID 54010835
2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026
2-[3-[(dimethylamino)methyl]-2-hydroxy-5-methylphenyl]acetic acid
CID 82392010

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol?
The IUPAC name of 6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol (CID 22101590) is 6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol.
What is the SMILES notation for 6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol?
The canonical SMILES for 6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol is Cc1c(CN(C)C)cc(C(C)(C)C)c(O)c1C.
What is the InChIKey of 6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol?
The InChIKey is ONTQNSMWUGQQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-11(2)14(17)13(15(3,4)5)8-12(10)9-16(6)7/h8,17H,9H2,1-7H3.
What are the key properties of 6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol?
6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol has a molecular weight of 235.37 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol is sourced from PubChem (CID 22101590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).