2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine

C18H17FN2O — CID 59053658

IUPAC2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine
SMILESFc1c(OCCNCc2ccccn2)ccc2ccccc12
InChIInChI=1S/C18H17FN2O/c19-18-16-7-2-1-5-14(16)8-9-17(18)22-12-11-20-13-15-6-3-4-10-21-15/h1-10,20H,11-13H2
InChIKeyDZVXRDQCWFZFBU-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.54
Rot. Bonds6

About 2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine

2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 59053658) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID59053658
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine
SMILESFc1c(OCCNCc2ccccn2)ccc2ccccc12
InChIInChI=1S/C18H17FN2O/c19-18-16-7-2-1-5-14(16)8-9-17(18)22-12-11-20-13-15-6-3-4-10-21-15/h1-10,20H,11-13H2
InChIKeyDZVXRDQCWFZFBU-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine (CID 59053658) is 2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine is Fc1c(OCCNCc2ccccn2)ccc2ccccc12.
What is the InChIKey of 2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is DZVXRDQCWFZFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c19-18-16-7-2-1-5-14(16)8-9-17(18)22-12-11-20-13-15-6-3-4-10-21-15/h1-10,20H,11-13H2.
What are the key properties of 2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine?
2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 296.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 59053658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).