4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine

C20H25FN2O2 — CID 21393710

IUPAC4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
SMILESFc1ccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc2c1
InChIInChI=1S/C20H25FN2O2/c21-20-2-1-16-11-18(14-22-3-7-24-8-4-22)19(12-17(16)13-20)15-23-5-9-25-10-6-23/h1-2,11-13H,3-10,14-15H2
InChIKeyJLCXGFUTQCLTRX-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.64
Rot. Bonds4

About 4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine

4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine (PubChem CID 21393710) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
PubChem CID21393710
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
SMILESFc1ccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc2c1
InChIInChI=1S/C20H25FN2O2/c21-20-2-1-16-11-18(14-22-3-7-24-8-4-22)19(12-17(16)13-20)15-23-5-9-25-10-6-23/h1-2,11-13H,3-10,14-15H2
InChIKeyJLCXGFUTQCLTRX-UHFFFAOYSA-N
XLogP2.64
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The IUPAC name of 4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine (CID 21393710) is 4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine is Fc1ccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc2c1.
What is the InChIKey of 4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The InChIKey is JLCXGFUTQCLTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c21-20-2-1-16-11-18(14-22-3-7-24-8-4-22)19(12-17(16)13-20)15-23-5-9-25-10-6-23/h1-2,11-13H,3-10,14-15H2.
What are the key properties of 4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine has a molecular weight of 344.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine is sourced from PubChem (CID 21393710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).