4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol

C16H19NO2 — CID 106954073

IUPAC4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol
SMILESCOc1ccccc1CNc1cc(C)c(O)cc1C
InChIInChI=1S/C16H19NO2/c1-11-9-15(18)12(2)8-14(11)17-10-13-6-4-5-7-16(13)19-3/h4-9,17-18H,10H2,1-3H3
InChIKeyRKOCKJPUXVCGKB-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.63
Rot. Bonds4

About 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol

4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol (PubChem CID 106954073) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol
PubChem CID106954073
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol
SMILESCOc1ccccc1CNc1cc(C)c(O)cc1C
InChIInChI=1S/C16H19NO2/c1-11-9-15(18)12(2)8-14(11)17-10-13-6-4-5-7-16(13)19-3/h4-9,17-18H,10H2,1-3H3
InChIKeyRKOCKJPUXVCGKB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230210
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106954005
2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
CID 82761234
4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
CID 106953736
2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
CID 107678386
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 899237
methyl 3-[(4-hydroxy-2,5-dimethylanilino)methyl]furan-2-carboxylate
CID 106954118
4-[(3,5-dibromo-4-methoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106953832
N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol?
The IUPAC name of 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol (CID 106954073) is 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol.
What is the SMILES notation for 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol?
The canonical SMILES for 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol is COc1ccccc1CNc1cc(C)c(O)cc1C.
What is the InChIKey of 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol?
The InChIKey is RKOCKJPUXVCGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-9-15(18)12(2)8-14(11)17-10-13-6-4-5-7-16(13)19-3/h4-9,17-18H,10H2,1-3H3.
What are the key properties of 4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol?
4-[(2-methoxyphenyl)methylamino]-2,5-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-methoxyphenyl)methylamino]-2,5-dimethylphenol is sourced from PubChem (CID 106954073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).