4-(ethylamino)naphthalen-1-ol

C12H13NO — CID 45487209

IUPAC4-(ethylamino)naphthalen-1-ol
SMILESCCNc1ccc(O)c2ccccc12
InChIInChI=1S/C12H13NO/c1-2-13-11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,13-14H,2H2,1H3
InChIKeySKQYPGROWSDIBN-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.98
Rot. Bonds2

About 4-(ethylamino)naphthalen-1-ol

4-(ethylamino)naphthalen-1-ol (PubChem CID 45487209) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(ethylamino)naphthalen-1-ol.

Molecular Properties

Compound Name4-(ethylamino)naphthalen-1-ol
PubChem CID45487209
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-(ethylamino)naphthalen-1-ol
SMILESCCNc1ccc(O)c2ccccc12
InChIInChI=1S/C12H13NO/c1-2-13-11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,13-14H,2H2,1H3
InChIKeySKQYPGROWSDIBN-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.98
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-(ethylamino)naphthalen-1-ol?
The IUPAC name of 4-(ethylamino)naphthalen-1-ol (CID 45487209) is 4-(ethylamino)naphthalen-1-ol.
What is the SMILES notation for 4-(ethylamino)naphthalen-1-ol?
The canonical SMILES for 4-(ethylamino)naphthalen-1-ol is CCNc1ccc(O)c2ccccc12.
What is the InChIKey of 4-(ethylamino)naphthalen-1-ol?
The InChIKey is SKQYPGROWSDIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-13-11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,13-14H,2H2,1H3.
What are the key properties of 4-(ethylamino)naphthalen-1-ol?
4-(ethylamino)naphthalen-1-ol has a molecular weight of 187.24 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)naphthalen-1-ol is sourced from PubChem (CID 45487209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).