5-amino-2-methylphenol

C7H9NO — CID 17818

IUPAC5-amino-2-methylphenol
SMILESCc1ccc(N)cc1O
InChIInChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3
InChIKeyDBFYESDCPWWCHN-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.28
Rot. Bonds

About 5-amino-2-methylphenol

5-amino-2-methylphenol (PubChem CID 17818) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 5-amino-2-methylphenol.

Molecular Properties

Compound Name5-amino-2-methylphenol
PubChem CID17818
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name5-amino-2-methylphenol
SMILESCc1ccc(N)cc1O
InChIInChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3
InChIKeyDBFYESDCPWWCHN-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'}

Analyze 5-amino-2-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Aminophenol
CID 11568
2-Amino-5-methylphenol
CID 76082
5-Amino-2-hydroxytoluene
CID 76081
3-Methoxy-4-methylaniline
CID 27882
4-[(E)-2-(4-Aminophenyl)ethenyl]phenol
CID 5375988
6-Amino-o-cresol
CID 413657
2-Methyl-5-nitrophenol
CID 93576
5-Amino-6-Chloro-o-Cresol
CID 157641
3-Amino-p-cresol
CID 17820
3-Aminophenol hydrochloride
CID 12231984
5-Amino-4-chloro-o-cresol
CID 10176241
5-Amino-4-chloro-o-cresol hydrochloride
CID 22153846

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylphenol?
The IUPAC name of 5-amino-2-methylphenol (CID 17818) is 5-amino-2-methylphenol.
What is the SMILES notation for 5-amino-2-methylphenol?
The canonical SMILES for 5-amino-2-methylphenol is Cc1ccc(N)cc1O.
What is the InChIKey of 5-amino-2-methylphenol?
The InChIKey is DBFYESDCPWWCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3.
What are the key properties of 5-amino-2-methylphenol?
5-amino-2-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 5-amino-2-methylphenol is sourced from PubChem (CID 17818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).