4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol

C16H19NO2 — CID 28932228

IUPAC4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol
SMILESCOc1ccccc1NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C16H19NO2/c1-11-8-13(9-12(2)16(11)18)10-17-14-6-4-5-7-15(14)19-3/h4-9,17-18H,10H2,1-3H3
InChIKeyRKZRRVBFILXXKR-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.63
Rot. Bonds4

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

4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol (PubChem CID 28932228) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol
PubChem CID28932228
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol
SMILESCOc1ccccc1NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C16H19NO2/c1-11-8-13(9-12(2)16(11)18)10-17-14-6-4-5-7-15(14)19-3/h4-9,17-18H,10H2,1-3H3
InChIKeyRKZRRVBFILXXKR-UHFFFAOYSA-N
XLogP3.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide
CID 174867526
4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
CID 60931109
4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol
CID 28932279
methyl 2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoate
CID 43139457
4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol
CID 43721997
4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol
CID 107629630
3-[(2-methoxyanilino)methyl]benzoic acid
CID 75357537
4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932344
2,6-dimethoxy-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042152
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212
N-benzyl-2-methoxy-4-methylaniline
CID 54865649

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol (CID 28932228) is 4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol is COc1ccccc1NCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol?
The InChIKey is RKZRRVBFILXXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-8-13(9-12(2)16(11)18)10-17-14-6-4-5-7-15(14)19-3/h4-9,17-18H,10H2,1-3H3.
What are the key properties of 4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol?
4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol has a molecular weight of 257.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 28932228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).