4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol

C17H21NO2 — CID 60931109

IUPAC4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
SMILESCOc1cc(C)ccc1NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C17H21NO2/c1-11-5-6-15(16(7-11)20-4)18-10-14-8-12(2)17(19)13(3)9-14/h5-9,18-19H,10H2,1-4H3
InChIKeyBXNROJPBORWZIM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.94
Rot. Bonds4

About 4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol

4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol (PubChem CID 60931109) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
PubChem CID60931109
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
SMILESCOc1cc(C)ccc1NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C17H21NO2/c1-11-5-6-15(16(7-11)20-4)18-10-14-8-12(2)17(19)13(3)9-14/h5-9,18-19H,10H2,1-4H3
InChIKeyBXNROJPBORWZIM-UHFFFAOYSA-N
XLogP3.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol
CID 28932228
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204
4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol
CID 28932226
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol
CID 28932279
N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
CID 63451276
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide
CID 174867526
2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
CID 28932362

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol (CID 60931109) is 4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol is COc1cc(C)ccc1NCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol?
The InChIKey is BXNROJPBORWZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-5-6-15(16(7-11)20-4)18-10-14-8-12(2)17(19)13(3)9-14/h5-9,18-19H,10H2,1-4H3.
What are the key properties of 4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol?
4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol has a molecular weight of 271.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 60931109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).