3-amino-4-methylphenol

C7H9NO — CID 17820

IUPAC3-amino-4-methylphenol
SMILESCc1ccc(O)cc1N
InChIInChI=1S/C7H9NO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,8H2,1H3
InChIKeyNUNAWQZKZVVELQ-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.28
Rot. Bonds

About 3-amino-4-methylphenol

3-amino-4-methylphenol (PubChem CID 17820) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-amino-4-methylphenol.

Molecular Properties

Compound Name3-amino-4-methylphenol
PubChem CID17820
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-amino-4-methylphenol
SMILESCc1ccc(O)cc1N
InChIInChI=1S/C7H9NO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,8H2,1H3
InChIKeyNUNAWQZKZVVELQ-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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Related Compounds

CID 11568
CID 11568
CID 17818
CID 17818
CID 17819
CID 17819
CID 7264
CID 7264
CID 8428
CID 8428
CID 5375988
CID 5375988
CID 8389
CID 8389
CID 16271
CID 16271
CID 12231984
CID 12231984
CID 3014155
CID 3014155
CID 79579
CID 79579
CID 80436
CID 80436

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylphenol?
The IUPAC name of 3-amino-4-methylphenol (CID 17820) is 3-amino-4-methylphenol.
What is the SMILES notation for 3-amino-4-methylphenol?
The canonical SMILES for 3-amino-4-methylphenol is Cc1ccc(O)cc1N.
What is the InChIKey of 3-amino-4-methylphenol?
The InChIKey is NUNAWQZKZVVELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,8H2,1H3.
What are the key properties of 3-amino-4-methylphenol?
3-amino-4-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-4-methylphenol is sourced from PubChem (CID 17820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).