3-amino-5-methylphenol

C7H9NO — CID 3018667

IUPAC3-amino-5-methylphenol
SMILESCc1cc(N)cc(O)c1
InChIInChI=1S/C7H9NO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,8H2,1H3
InChIKeyNCUABBHFJSFKOJ-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.28
Rot. Bonds

About 3-amino-5-methylphenol

3-amino-5-methylphenol (PubChem CID 3018667) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-amino-5-methylphenol.

Molecular Properties

Compound Name3-amino-5-methylphenol
PubChem CID3018667
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-amino-5-methylphenol
SMILESCc1cc(N)cc(O)c1
InChIInChI=1S/C7H9NO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,8H2,1H3
InChIKeyNCUABBHFJSFKOJ-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.28
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-5-methylphenol?
The IUPAC name of 3-amino-5-methylphenol (CID 3018667) is 3-amino-5-methylphenol.
What is the SMILES notation for 3-amino-5-methylphenol?
The canonical SMILES for 3-amino-5-methylphenol is Cc1cc(N)cc(O)c1.
What is the InChIKey of 3-amino-5-methylphenol?
The InChIKey is NCUABBHFJSFKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,8H2,1H3.
What are the key properties of 3-amino-5-methylphenol?
3-amino-5-methylphenol has a molecular weight of 123.15 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylphenol is sourced from PubChem (CID 3018667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).