4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol

C15H18FNO — CID 64792610

IUPAC4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol
SMILESCC(Nc1ccc(O)c(F)c1)C1CC2C=CC1C2
InChIInChI=1S/C15H18FNO/c1-9(13-7-10-2-3-11(13)6-10)17-12-4-5-15(18)14(16)8-12/h2-5,8-11,13,17-18H,6-7H2,1H3
InChIKeyPTGCFTDNRSDKAW-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.54
Rot. Bonds3

About 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol

4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol (PubChem CID 64792610) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol.

Molecular Properties

Compound Name4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol
PubChem CID64792610
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol
SMILESCC(Nc1ccc(O)c(F)c1)C1CC2C=CC1C2
InChIInChI=1S/C15H18FNO/c1-9(13-7-10-2-3-11(13)6-10)17-12-4-5-15(18)14(16)8-12/h2-5,8-11,13,17-18H,6-7H2,1H3
InChIKeyPTGCFTDNRSDKAW-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol?
The IUPAC name of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol (CID 64792610) is 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol.
What is the SMILES notation for 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol?
The canonical SMILES for 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol is CC(Nc1ccc(O)c(F)c1)C1CC2C=CC1C2.
What is the InChIKey of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol?
The InChIKey is PTGCFTDNRSDKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-9(13-7-10-2-3-11(13)6-10)17-12-4-5-15(18)14(16)8-12/h2-5,8-11,13,17-18H,6-7H2,1H3.
What are the key properties of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol?
4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol has a molecular weight of 247.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol is sourced from PubChem (CID 64792610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).