4-amino-6-methoxy-2,3-dimethylphenol

C9H13NO2 — CID 58463229

IUPAC4-amino-6-methoxy-2,3-dimethylphenol
SMILESCOc1cc(N)c(C)c(C)c1O
InChIInChI=1S/C9H13NO2/c1-5-6(2)9(11)8(12-3)4-7(5)10/h4,11H,10H2,1-3H3
InChIKeyPLICCUPQRABDBV-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.60
Rot. Bonds1

About 4-amino-6-methoxy-2,3-dimethylphenol

4-amino-6-methoxy-2,3-dimethylphenol (PubChem CID 58463229) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-6-methoxy-2,3-dimethylphenol.

Molecular Properties

Compound Name4-amino-6-methoxy-2,3-dimethylphenol
PubChem CID58463229
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-amino-6-methoxy-2,3-dimethylphenol
SMILESCOc1cc(N)c(C)c(C)c1O
InChIInChI=1S/C9H13NO2/c1-5-6(2)9(11)8(12-3)4-7(5)10/h4,11H,10H2,1-3H3
InChIKeyPLICCUPQRABDBV-UHFFFAOYSA-N
XLogP1.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid
CID 117285992
(2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone
CID 22097609
2,5-dimethoxy-3-methylbenzene-1,4-diol
CID 118620662
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol
CID 117299082
4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
CID 136997969
3,6-dimethoxy-2-methylphenol
CID 13158257
4-hydrazinyl-2,6-dimethoxyphenol
CID 57195955
2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile
CID 117282299
2-amino-4-(aminomethyl)-6-methoxyphenol
CID 91902669
2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol
CID 59194580
4-methoxy-2,3-dimethylaniline
CID 11094809

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methoxy-2,3-dimethylphenol?
The IUPAC name of 4-amino-6-methoxy-2,3-dimethylphenol (CID 58463229) is 4-amino-6-methoxy-2,3-dimethylphenol.
What is the SMILES notation for 4-amino-6-methoxy-2,3-dimethylphenol?
The canonical SMILES for 4-amino-6-methoxy-2,3-dimethylphenol is COc1cc(N)c(C)c(C)c1O.
What is the InChIKey of 4-amino-6-methoxy-2,3-dimethylphenol?
The InChIKey is PLICCUPQRABDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-5-6(2)9(11)8(12-3)4-7(5)10/h4,11H,10H2,1-3H3.
What are the key properties of 4-amino-6-methoxy-2,3-dimethylphenol?
4-amino-6-methoxy-2,3-dimethylphenol has a molecular weight of 167.21 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methoxy-2,3-dimethylphenol is sourced from PubChem (CID 58463229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).