4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol

C15H17NO3 — CID 174720753

IUPAC4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol
SMILESCOc1cc(-c2cc(N)ccc2C)cc(OC)c1O
InChIInChI=1S/C15H17NO3/c1-9-4-5-11(16)8-12(9)10-6-13(18-2)15(17)14(7-10)19-3/h4-8,17H,16H2,1-3H3
InChIKeyDGZQDKWZJHUHLT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.97
Rot. Bonds3

About 4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol

4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol (PubChem CID 174720753) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol
PubChem CID174720753
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol
SMILESCOc1cc(-c2cc(N)ccc2C)cc(OC)c1O
InChIInChI=1S/C15H17NO3/c1-9-4-5-11(16)8-12(9)10-6-13(18-2)15(17)14(7-10)19-3/h4-8,17H,16H2,1-3H3
InChIKeyDGZQDKWZJHUHLT-UHFFFAOYSA-N
XLogP2.97
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-4-methylaniline
CID 39232128
3-(4-methoxy-3-methylphenyl)-4-methylaniline
CID 55202323
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
ethane;methane;3-methoxy-4-methylaniline
CID 144516222
4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol
CID 19049296
3-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-dimethoxyphenol
CID 53362757
ethane;methyl 4-(5-amino-2-methylphenyl)benzoate
CID 142234774
4-[5-(1-hydroxyethyl)-2-methoxyphenyl]-2,6-dimethoxyphenol
CID 51039637
3-(3-chloro-5-methylphenyl)-4-methylaniline
CID 168929522
4-methyl-3-(2-methylpyrimidin-5-yl)aniline
CID 170431309
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
2-tert-butyl-6-(4-hydroxy-3,5-dimethoxyphenyl)-4-methylphenol
CID 132548292

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol?
The IUPAC name of 4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol (CID 174720753) is 4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol.
What is the SMILES notation for 4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol?
The canonical SMILES for 4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol is COc1cc(-c2cc(N)ccc2C)cc(OC)c1O.
What is the InChIKey of 4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol?
The InChIKey is DGZQDKWZJHUHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-4-5-11(16)8-12(9)10-6-13(18-2)15(17)14(7-10)19-3/h4-8,17H,16H2,1-3H3.
What are the key properties of 4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol?
4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol has a molecular weight of 259.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol is sourced from PubChem (CID 174720753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).