6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol

C14H23NO — CID 20574810

IUPAC6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol
SMILESCNCc1c(C)cc(C(C)(C)C)c(O)c1C
InChIInChI=1S/C14H23NO/c1-9-7-12(14(3,4)5)13(16)10(2)11(9)8-15-6/h7,15-16H,8H2,1-6H3
InChIKeyCHJBYJDRLVHLDC-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.03
Rot. Bonds2

About 6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol

6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol (PubChem CID 20574810) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol.

Molecular Properties

Compound Name6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol
PubChem CID20574810
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol
SMILESCNCc1c(C)cc(C(C)(C)C)c(O)c1C
InChIInChI=1S/C14H23NO/c1-9-7-12(14(3,4)5)13(16)10(2)11(9)8-15-6/h7,15-16H,8H2,1-6H3
InChIKeyCHJBYJDRLVHLDC-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methylphosphonic acid
CID 21311773
(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl 2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetate
CID 140981053
(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl prop-2-enoate
CID 87674827
6-tert-butyl-3-[[3-[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]dithiol-3-yl]methyl]-2,4-dimethylphenol
CID 19796042
2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol
CID 159788549
ethyl 2-[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]prop-2-enoate
CID 141186251
6-tert-butyl-2,3,4-trimethylphenol;2,6-ditert-butyl-4-methylphenol;methane
CID 159742273
1,3,5-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]piperidine-2,4,6-trione
CID 121370181
6-tert-butyl-3-[[4-[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-2,5-dipropylpiperazin-1-yl]methyl]-2,4-dimethylphenol
CID 139881143
2,3-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methylsulfanyl]terephthalate
CID 22019962
2,3-bis[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methylsulfanyl]terephthalic acid
CID 22019963
(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl dodecanoate
CID 86734281

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol?
The IUPAC name of 6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol (CID 20574810) is 6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol.
What is the SMILES notation for 6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol?
The canonical SMILES for 6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol is CNCc1c(C)cc(C(C)(C)C)c(O)c1C.
What is the InChIKey of 6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol?
The InChIKey is CHJBYJDRLVHLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9-7-12(14(3,4)5)13(16)10(2)11(9)8-15-6/h7,15-16H,8H2,1-6H3.
What are the key properties of 6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol?
6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol has a molecular weight of 221.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,4-dimethyl-3-(methylaminomethyl)phenol is sourced from PubChem (CID 20574810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).