2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol

C16H19NO3 — CID 115904030

IUPAC2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol
SMILESCOc1ccc(NCc2cccc(C)c2O)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-11-5-4-6-12(16(11)18)10-17-14-8-7-13(19-2)9-15(14)20-3/h4-9,17-18H,10H2,1-3H3
InChIKeyHRAFUVTUPLEABD-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.33
Rot. Bonds5

About 2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol

2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol (PubChem CID 115904030) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol
PubChem CID115904030
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol
SMILESCOc1ccc(NCc2cccc(C)c2O)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-11-5-4-6-12(16(11)18)10-17-14-8-7-13(19-2)9-15(14)20-3/h4-9,17-18H,10H2,1-3H3
InChIKeyHRAFUVTUPLEABD-UHFFFAOYSA-N
XLogP3.33
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline
CID 66385425
2-[(2,4-dimethoxyanilino)methyl]benzamide
CID 28570532
2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol
CID 29274459
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965693
4-[(4-methoxy-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103953018
2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 26438685
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-methylphenol
CID 115951586
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
4-[(2,4-dimethoxyanilino)methyl]-3-methylbenzonitrile
CID 114479588

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol?
The IUPAC name of 2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol (CID 115904030) is 2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol.
What is the SMILES notation for 2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol?
The canonical SMILES for 2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol is COc1ccc(NCc2cccc(C)c2O)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol?
The InChIKey is HRAFUVTUPLEABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-5-4-6-12(16(11)18)10-17-14-8-7-13(19-2)9-15(14)20-3/h4-9,17-18H,10H2,1-3H3.
What are the key properties of 2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol?
2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol has a molecular weight of 273.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol is sourced from PubChem (CID 115904030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).