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

C18H17FN2O — CID 142717781

IUPAC1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC(NCc1ccccn1)Oc1ccc2ccccc2c1F
InChIInChI=1S/C18H17FN2O/c1-13(21-12-15-7-4-5-11-20-15)22-17-10-9-14-6-2-3-8-16(14)18(17)19/h2-11,13,21H,12H2,1H3
InChIKeyAPZUSNVYBPNUDR-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.89
Rot. Bonds5

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

1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 142717781) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID142717781
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC(NCc1ccccn1)Oc1ccc2ccccc2c1F
InChIInChI=1S/C18H17FN2O/c1-13(21-12-15-7-4-5-11-20-15)22-17-10-9-14-6-2-3-8-16(14)18(17)19/h2-11,13,21H,12H2,1H3
InChIKeyAPZUSNVYBPNUDR-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine (CID 142717781) is 1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine is CC(NCc1ccccn1)Oc1ccc2ccccc2c1F.
What is the InChIKey of 1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is APZUSNVYBPNUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-13(21-12-15-7-4-5-11-20-15)22-17-10-9-14-6-2-3-8-16(14)18(17)19/h2-11,13,21H,12H2,1H3.
What are the key properties of 1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine?
1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 296.35 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoronaphthalen-2-yl)oxy-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 142717781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).