4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol

C17H21NO3 — CID 28932279

IUPAC4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol
SMILESCOc1ccc(OC)c(NCc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C17H21NO3/c1-11-7-13(8-12(2)17(11)19)10-18-15-9-14(20-3)5-6-16(15)21-4/h5-9,18-19H,10H2,1-4H3
InChIKeyQWIFYKNHPCXDKG-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.64
Rot. Bonds5

About 4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol

4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol (PubChem CID 28932279) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol
PubChem CID28932279
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol
SMILESCOc1ccc(OC)c(NCc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C17H21NO3/c1-11-7-13(8-12(2)17(11)19)10-18-15-9-14(20-3)5-6-16(15)21-4/h5-9,18-19H,10H2,1-4H3
InChIKeyQWIFYKNHPCXDKG-UHFFFAOYSA-N
XLogP3.64
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol
CID 28932228
4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
CID 60931109
4-[(2,5-dimethoxyanilino)methyl]-2-fluorophenol
CID 107685258
2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 28543653
2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
CID 107740862
N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline
CID 54797069
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
2,5-dimethoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82887682
N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide
CID 174867526
N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 62122449
4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol
CID 43721997
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol (CID 28932279) is 4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol is COc1ccc(OC)c(NCc2cc(C)c(O)c(C)c2)c1.
What is the InChIKey of 4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol?
The InChIKey is QWIFYKNHPCXDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-7-13(8-12(2)17(11)19)10-18-15-9-14(20-3)5-6-16(15)21-4/h5-9,18-19H,10H2,1-4H3.
What are the key properties of 4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol?
4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol has a molecular weight of 287.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 28932279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).