4-amino-2-methylnaphthalen-1-ol

C11H11NO — CID 6754

IUPAC4-amino-2-methylnaphthalen-1-ol
SMILESCc1cc(N)c2ccccc2c1O
InChIInChI=1S/C11H11NO/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,13H,12H2,1H3
InChIKeyUGQFCTZXVAPVCS-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.44
Rot. Bonds

About 4-amino-2-methylnaphthalen-1-ol

4-amino-2-methylnaphthalen-1-ol (PubChem CID 6754) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-amino-2-methylnaphthalen-1-ol.

Molecular Properties

Compound Name4-amino-2-methylnaphthalen-1-ol
PubChem CID6754
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name4-amino-2-methylnaphthalen-1-ol
SMILESCc1cc(N)c2ccccc2c1O
InChIInChI=1S/C11H11NO/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,13H,12H2,1H3
InChIKeyUGQFCTZXVAPVCS-UHFFFAOYSA-N
XLogP2.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylnaphthalen-1-ol?
The IUPAC name of 4-amino-2-methylnaphthalen-1-ol (CID 6754) is 4-amino-2-methylnaphthalen-1-ol.
What is the SMILES notation for 4-amino-2-methylnaphthalen-1-ol?
The canonical SMILES for 4-amino-2-methylnaphthalen-1-ol is Cc1cc(N)c2ccccc2c1O.
What is the InChIKey of 4-amino-2-methylnaphthalen-1-ol?
The InChIKey is UGQFCTZXVAPVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,13H,12H2,1H3.
What are the key properties of 4-amino-2-methylnaphthalen-1-ol?
4-amino-2-methylnaphthalen-1-ol has a molecular weight of 173.21 g/mol, XLogP of 2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylnaphthalen-1-ol is sourced from PubChem (CID 6754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).