2-amino-5-methoxy-4-methylphenol

C8H11NO2 — CID 21492628

IUPAC2-amino-5-methoxy-4-methylphenol
SMILESCOc1cc(O)c(N)cc1C
InChIInChI=1S/C8H11NO2/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4,10H,9H2,1-2H3
InChIKeyIFNNXEGYCIBJCW-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.29
Rot. Bonds1

About 2-amino-5-methoxy-4-methylphenol

2-amino-5-methoxy-4-methylphenol (PubChem CID 21492628) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-amino-5-methoxy-4-methylphenol.

Molecular Properties

Compound Name2-amino-5-methoxy-4-methylphenol
PubChem CID21492628
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-amino-5-methoxy-4-methylphenol
SMILESCOc1cc(O)c(N)cc1C
InChIInChI=1S/C8H11NO2/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4,10H,9H2,1-2H3
InChIKeyIFNNXEGYCIBJCW-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-4-methylphenol?
The IUPAC name of 2-amino-5-methoxy-4-methylphenol (CID 21492628) is 2-amino-5-methoxy-4-methylphenol.
What is the SMILES notation for 2-amino-5-methoxy-4-methylphenol?
The canonical SMILES for 2-amino-5-methoxy-4-methylphenol is COc1cc(O)c(N)cc1C.
What is the InChIKey of 2-amino-5-methoxy-4-methylphenol?
The InChIKey is IFNNXEGYCIBJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4,10H,9H2,1-2H3.
What are the key properties of 2-amino-5-methoxy-4-methylphenol?
2-amino-5-methoxy-4-methylphenol has a molecular weight of 153.18 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-4-methylphenol is sourced from PubChem (CID 21492628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).