4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine

C20H31NO2 — CID 71050920

IUPAC4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine
SMILESCC1CCC(Cc2ccccc2)(OCCN2CCOCC2)CC1
InChIInChI=1S/C20H31NO2/c1-18-7-9-20(10-8-18,17-19-5-3-2-4-6-19)23-16-13-21-11-14-22-15-12-21/h2-6,18H,7-17H2,1H3
InChIKeyIJNWHSHIVCXCBI-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.53
Rot. Bonds6

About 4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine

4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine (PubChem CID 71050920) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine
PubChem CID71050920
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine
SMILESCC1CCC(Cc2ccccc2)(OCCN2CCOCC2)CC1
InChIInChI=1S/C20H31NO2/c1-18-7-9-20(10-8-18,17-19-5-3-2-4-6-19)23-16-13-21-11-14-22-15-12-21/h2-6,18H,7-17H2,1H3
InChIKeyIJNWHSHIVCXCBI-UHFFFAOYSA-N
XLogP3.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine (CID 71050920) is 4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine is CC1CCC(Cc2ccccc2)(OCCN2CCOCC2)CC1.
What is the InChIKey of 4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine?
The InChIKey is IJNWHSHIVCXCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-18-7-9-20(10-8-18,17-19-5-3-2-4-6-19)23-16-13-21-11-14-22-15-12-21/h2-6,18H,7-17H2,1H3.
What are the key properties of 4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine?
4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine has a molecular weight of 317.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzyl-4-methylcyclohexyl)oxyethyl]morpholine is sourced from PubChem (CID 71050920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).