4-(propylamino)naphthalen-1-ol

C13H15NO — CID 45487219

IUPAC4-(propylamino)naphthalen-1-ol
SMILESCCCNc1ccc(O)c2ccccc12
InChIInChI=1S/C13H15NO/c1-2-9-14-12-7-8-13(15)11-6-4-3-5-10(11)12/h3-8,14-15H,2,9H2,1H3
InChIKeyFDQDPQDUXWRNKT-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.37
Rot. Bonds3

About 4-(propylamino)naphthalen-1-ol

4-(propylamino)naphthalen-1-ol (PubChem CID 45487219) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(propylamino)naphthalen-1-ol.

Molecular Properties

Compound Name4-(propylamino)naphthalen-1-ol
PubChem CID45487219
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-(propylamino)naphthalen-1-ol
SMILESCCCNc1ccc(O)c2ccccc12
InChIInChI=1S/C13H15NO/c1-2-9-14-12-7-8-13(15)11-6-4-3-5-10(11)12/h3-8,14-15H,2,9H2,1H3
InChIKeyFDQDPQDUXWRNKT-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)naphthalen-1-ol?
The IUPAC name of 4-(propylamino)naphthalen-1-ol (CID 45487219) is 4-(propylamino)naphthalen-1-ol.
What is the SMILES notation for 4-(propylamino)naphthalen-1-ol?
The canonical SMILES for 4-(propylamino)naphthalen-1-ol is CCCNc1ccc(O)c2ccccc12.
What is the InChIKey of 4-(propylamino)naphthalen-1-ol?
The InChIKey is FDQDPQDUXWRNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-9-14-12-7-8-13(15)11-6-4-3-5-10(11)12/h3-8,14-15H,2,9H2,1H3.
What are the key properties of 4-(propylamino)naphthalen-1-ol?
4-(propylamino)naphthalen-1-ol has a molecular weight of 201.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)naphthalen-1-ol is sourced from PubChem (CID 45487219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).