4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine

C20H25ClN2O2 — CID 21393751

IUPAC4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
SMILESClc1cccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc12
InChIInChI=1S/C20H25ClN2O2/c21-20-3-1-2-16-12-17(14-22-4-8-24-9-5-22)18(13-19(16)20)15-23-6-10-25-11-7-23/h1-3,12-13H,4-11,14-15H2
InChIKeyPVGUTHXESNXVLA-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.16
Rot. Bonds4

About 4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine

4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine (PubChem CID 21393751) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
PubChem CID21393751
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
SMILESClc1cccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc12
InChIInChI=1S/C20H25ClN2O2/c21-20-3-1-2-16-12-17(14-22-4-8-24-9-5-22)18(13-19(16)20)15-23-6-10-25-11-7-23/h1-3,12-13H,4-11,14-15H2
InChIKeyPVGUTHXESNXVLA-UHFFFAOYSA-N
XLogP3.16
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine (CID 21393751) is 4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine is Clc1cccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc12.
What is the InChIKey of 4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The InChIKey is PVGUTHXESNXVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c21-20-3-1-2-16-12-17(14-22-4-8-24-9-5-22)18(13-19(16)20)15-23-6-10-25-11-7-23/h1-3,12-13H,4-11,14-15H2.
What are the key properties of 4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine has a molecular weight of 360.89 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine is sourced from PubChem (CID 21393751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).