2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol

C21H29NO3 — CID 151665539

IUPAC2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol
SMILESCCNc1cc(OC)c(OC)cc1-c1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H29NO3/c1-8-22-17-12-19(25-7)18(24-6)11-14(17)15-9-13(2)10-16(20(15)23)21(3,4)5/h9-12,22-23H,8H2,1-7H3
InChIKeyQXLHNKFMLIJSIR-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.11
Rot. Bonds5

About 2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol

2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol (PubChem CID 151665539) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol
PubChem CID151665539
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol
SMILESCCNc1cc(OC)c(OC)cc1-c1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H29NO3/c1-8-22-17-12-19(25-7)18(24-6)11-14(17)15-9-13(2)10-16(20(15)23)21(3,4)5/h9-12,22-23H,8H2,1-7H3
InChIKeyQXLHNKFMLIJSIR-UHFFFAOYSA-N
XLogP5.11
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol 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

2-tert-butyl-6-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylphenol
CID 132548292
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol
CID 166011841
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288
2-tert-butyl-4,6-dimethylphenol;2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol
CID 161122841
2-tert-butyl-4,6-dimethylphenol
CID 87814182

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol (CID 151665539) is 2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol is CCNc1cc(OC)c(OC)cc1-c1cc(C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol?
The InChIKey is QXLHNKFMLIJSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-8-22-17-12-19(25-7)18(24-6)11-14(17)15-9-13(2)10-16(20(15)23)21(3,4)5/h9-12,22-23H,8H2,1-7H3.
What are the key properties of 2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol?
2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol has a molecular weight of 343.47 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-(ethylamino)-4,5-dimethoxyphenyl]-4-methylphenol is sourced from PubChem (CID 151665539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).