4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine

C13H18ClNO2 — CID 869329

IUPAC4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-11-10-12(2-3-13(11)14)17-9-6-15-4-7-16-8-5-15/h2-3,10H,4-9H2,1H3
InChIKeyWLMFHRKROAOOFL-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.36
Rot. Bonds4

About 4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine

4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine (PubChem CID 869329) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine
PubChem CID869329
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-11-10-12(2-3-13(11)14)17-9-6-15-4-7-16-8-5-15/h2-3,10H,4-9H2,1H3
InChIKeyWLMFHRKROAOOFL-UHFFFAOYSA-N
XLogP2.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine (CID 869329) is 4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine is Cc1cc(OCCN2CCOCC2)ccc1Cl.
What is the InChIKey of 4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine?
The InChIKey is WLMFHRKROAOOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-11-10-12(2-3-13(11)14)17-9-6-15-4-7-16-8-5-15/h2-3,10H,4-9H2,1H3.
What are the key properties of 4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine?
4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine has a molecular weight of 255.74 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-3-methylphenoxy)ethyl]morpholine is sourced from PubChem (CID 869329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).