3-amino-2,5-dimethylphenol

C8H11NO — CID 22236615

IUPAC3-amino-2,5-dimethylphenol
SMILESCc1cc(N)c(C)c(O)c1
InChIInChI=1S/C8H11NO/c1-5-3-7(9)6(2)8(10)4-5/h3-4,10H,9H2,1-2H3
InChIKeyXXTSEVBNJZNFLL-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.59
Rot. Bonds

About 3-amino-2,5-dimethylphenol

3-amino-2,5-dimethylphenol (PubChem CID 22236615) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-amino-2,5-dimethylphenol.

Molecular Properties

Compound Name3-amino-2,5-dimethylphenol
PubChem CID22236615
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-amino-2,5-dimethylphenol
SMILESCc1cc(N)c(C)c(O)c1
InChIInChI=1S/C8H11NO/c1-5-3-7(9)6(2)8(10)4-5/h3-4,10H,9H2,1-2H3
InChIKeyXXTSEVBNJZNFLL-UHFFFAOYSA-N
XLogP1.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-dimethylphenol?
The IUPAC name of 3-amino-2,5-dimethylphenol (CID 22236615) is 3-amino-2,5-dimethylphenol.
What is the SMILES notation for 3-amino-2,5-dimethylphenol?
The canonical SMILES for 3-amino-2,5-dimethylphenol is Cc1cc(N)c(C)c(O)c1.
What is the InChIKey of 3-amino-2,5-dimethylphenol?
The InChIKey is XXTSEVBNJZNFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5-3-7(9)6(2)8(10)4-5/h3-4,10H,9H2,1-2H3.
What are the key properties of 3-amino-2,5-dimethylphenol?
3-amino-2,5-dimethylphenol has a molecular weight of 137.18 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-dimethylphenol is sourced from PubChem (CID 22236615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).