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

C21H28N2O2 — CID 21393718

IUPAC4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
SMILESCc1ccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc2c1
InChIInChI=1S/C21H28N2O2/c1-17-2-3-18-13-20(15-22-4-8-24-9-5-22)21(14-19(18)12-17)16-23-6-10-25-11-7-23/h2-3,12-14H,4-11,15-16H2,1H3
InChIKeyBSBWWSZPXHBXNG-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.81
Rot. Bonds4

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

4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine (PubChem CID 21393718) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
PubChem CID21393718
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine
SMILESCc1ccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc2c1
InChIInChI=1S/C21H28N2O2/c1-17-2-3-18-13-20(15-22-4-8-24-9-5-22)21(14-19(18)12-17)16-23-6-10-25-11-7-23/h2-3,12-14H,4-11,15-16H2,1H3
InChIKeyBSBWWSZPXHBXNG-UHFFFAOYSA-N
XLogP2.81
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The IUPAC name of 4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine (CID 21393718) is 4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine is Cc1ccc2cc(CN3CCOCC3)c(CN3CCOCC3)cc2c1.
What is the InChIKey of 4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
The InChIKey is BSBWWSZPXHBXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17-2-3-18-13-20(15-22-4-8-24-9-5-22)21(14-19(18)12-17)16-23-6-10-25-11-7-23/h2-3,12-14H,4-11,15-16H2,1H3.
What are the key properties of 4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine?
4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine has a molecular weight of 340.47 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-methyl-3-(morpholin-4-ylmethyl)naphthalen-2-yl]methyl]morpholine is sourced from PubChem (CID 21393718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).