2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol

C16H19NO4 — CID 61268572

IUPAC2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2ccc(OC)cc2OC)c(O)c1
InChIInChI=1S/C16H19NO4/c1-19-12-5-4-11(15(18)8-12)10-17-14-7-6-13(20-2)9-16(14)21-3/h4-9,17-18H,10H2,1-3H3
InChIKeyNFVIVHXIMLFZEN-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.03
Rot. Bonds6

About 2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol

2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol (PubChem CID 61268572) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
PubChem CID61268572
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
SMILESCOc1ccc(CNc2ccc(OC)cc2OC)c(O)c1
InChIInChI=1S/C16H19NO4/c1-19-12-5-4-11(15(18)8-12)10-17-14-7-6-13(20-2)9-16(14)21-3/h4-9,17-18H,10H2,1-3H3
InChIKeyNFVIVHXIMLFZEN-UHFFFAOYSA-N
XLogP3.03
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol
CID 61263805
N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline
CID 66385425
2-[(2,4-dimethoxyanilino)methyl]benzamide
CID 28570532
2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol
CID 115904030
2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
CID 61267847
2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol
CID 29274459
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61263249
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol (CID 61268572) is 2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol is COc1ccc(CNc2ccc(OC)cc2OC)c(O)c1.
What is the InChIKey of 2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol?
The InChIKey is NFVIVHXIMLFZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-19-12-5-4-11(15(18)8-12)10-17-14-7-6-13(20-2)9-16(14)21-3/h4-9,17-18H,10H2,1-3H3.
What are the key properties of 2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol?
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol has a molecular weight of 289.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol is sourced from PubChem (CID 61268572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).