2-amino-4-methylphenol;hydrochloride

C7H10ClNO — CID 3014155

IUPAC2-amino-4-methylphenol;hydrochloride
SMILESCc1ccc(O)c(N)c1.Cl
InChIInChI=1S/C7H9NO.ClH/c1-5-2-3-7(9)6(8)4-5;/h2-4,9H,8H2,1H3;1H
InChIKeyMZMUKGFYWNOPAU-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.70
Rot. Bonds

About 2-amino-4-methylphenol;hydrochloride

2-amino-4-methylphenol;hydrochloride (PubChem CID 3014155) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 2-amino-4-methylphenol;hydrochloride.

Molecular Properties

Compound Name2-amino-4-methylphenol;hydrochloride
PubChem CID3014155
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name2-amino-4-methylphenol;hydrochloride
SMILESCc1ccc(O)c(N)c1.Cl
InChIInChI=1S/C7H9NO.ClH/c1-5-2-3-7(9)6(8)4-5;/h2-4,9H,8H2,1H3;1H
InChIKeyMZMUKGFYWNOPAU-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-4-methylphenol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylphenol;hydrochloride?
The IUPAC name of 2-amino-4-methylphenol;hydrochloride (CID 3014155) is 2-amino-4-methylphenol;hydrochloride.
What is the SMILES notation for 2-amino-4-methylphenol;hydrochloride?
The canonical SMILES for 2-amino-4-methylphenol;hydrochloride is Cc1ccc(O)c(N)c1.Cl.
What is the InChIKey of 2-amino-4-methylphenol;hydrochloride?
The InChIKey is MZMUKGFYWNOPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.ClH/c1-5-2-3-7(9)6(8)4-5;/h2-4,9H,8H2,1H3;1H.
What are the key properties of 2-amino-4-methylphenol;hydrochloride?
2-amino-4-methylphenol;hydrochloride has a molecular weight of 159.62 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylphenol;hydrochloride is sourced from PubChem (CID 3014155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).