5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol

C14H16FNO — CID 163223065

IUPAC5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol
SMILESCCNc1cc(O)cc2ccc(F)c(CC)c12
InChIInChI=1S/C14H16FNO/c1-3-11-12(15)6-5-9-7-10(17)8-13(14(9)11)16-4-2/h5-8,16-17H,3-4H2,1-2H3
InChIKeyQELDMAMFOBGMKV-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.68
Rot. Bonds3

About 5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol

5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol (PubChem CID 163223065) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol.

Molecular Properties

Compound Name5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol
PubChem CID163223065
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol
SMILESCCNc1cc(O)cc2ccc(F)c(CC)c12
InChIInChI=1S/C14H16FNO/c1-3-11-12(15)6-5-9-7-10(17)8-13(14(9)11)16-4-2/h5-8,16-17H,3-4H2,1-2H3
InChIKeyQELDMAMFOBGMKV-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol?
The IUPAC name of 5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol (CID 163223065) is 5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol.
What is the SMILES notation for 5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol?
The canonical SMILES for 5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol is CCNc1cc(O)cc2ccc(F)c(CC)c12.
What is the InChIKey of 5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol?
The InChIKey is QELDMAMFOBGMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-3-11-12(15)6-5-9-7-10(17)8-13(14(9)11)16-4-2/h5-8,16-17H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol?
5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol has a molecular weight of 233.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(ethylamino)-6-fluoronaphthalen-2-ol is sourced from PubChem (CID 163223065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).