N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine

C18H16FNO — CID 144886367

IUPACN-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine
SMILESFc1ccc(CCONc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16FNO/c19-16-10-8-14(9-11-16)12-13-21-20-18-7-3-5-15-4-1-2-6-17(15)18/h1-11,20H,12-13H2
InChIKeyMQSPIFXXNUQFCJ-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.57
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine

N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine (PubChem CID 144886367) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine
PubChem CID144886367
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC NameN-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine
SMILESFc1ccc(CCONc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16FNO/c19-16-10-8-14(9-11-16)12-13-21-20-18-7-3-5-15-4-1-2-6-17(15)18/h1-11,20H,12-13H2
InChIKeyMQSPIFXXNUQFCJ-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine (CID 144886367) is N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine is Fc1ccc(CCONc2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine?
The InChIKey is MQSPIFXXNUQFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c19-16-10-8-14(9-11-16)12-13-21-20-18-7-3-5-15-4-1-2-6-17(15)18/h1-11,20H,12-13H2.
What are the key properties of N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine?
N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine has a molecular weight of 281.33 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethoxy]naphthalen-1-amine is sourced from PubChem (CID 144886367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).