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

C20H25ClN2O2 — CID 21393723

IUPAC4-[[6-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
SMILESClc1ccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc2c1
InChIInChI=1S/C20H25ClN2O2/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
InChIKeyICBQALFXKQFOSI-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.16
Rot. Bonds4

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

4-[[6-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine (PubChem CID 21393723) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-[[6-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[6-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
PubChem CID21393723
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name4-[[6-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
SMILESClc1ccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc2c1
InChIInChI=1S/C20H25ClN2O2/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
InChIKeyICBQALFXKQFOSI-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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Related Compounds

DND-167 dye
CID 1072152
Bis(morpholinomethyl)naphthalene
CID 21393731
4-[[6-Fluoro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
CID 21393710
9-[(4-Chlorophenyl)-phenylmethyl]-3-oxa-9-aza-6-azoniaspiro[5.5]undecane
CID 171483
4-[(5'-Chloro-2'-fluoro-4-biphenylyl)methyl]morpholine
CID 165423684
4-[1-Benzyl-3-(4-chlorophenyl)piperidin-4-yl]morpholine
CID 18001168
4-[(E)-1-[4-(4-chlorophenyl)phenyl]pent-3-enyl]morpholine
CID 20302324
4-[[3-(Morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine;dihydrochloride
CID 21393703
4-[[3-(Morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
CID 21393704
4-[[2-(Piperidin-1-ylmethyl)naphthalen-1-yl]methyl]morpholine
CID 21393709
4-[[1-Chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
CID 21393711
4-[[6-Methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
CID 21393718

Frequently Asked Questions

What is the IUPAC name of 4-[[6-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The IUPAC name of 4-[[6-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine (CID 21393723) is 4-[[6-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[6-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[6-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine is Clc1ccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc2c1.
What is the InChIKey of 4-[[6-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The InChIKey is ICBQALFXKQFOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/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-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
4-[[6-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-[[6-chloro-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine is sourced from PubChem (CID 21393723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).