4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine

C19H22ClNO2 — CID 71602091

IUPAC4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine
SMILESCc1cc(Oc2cccc(CN3CCOCC3)c2)cc(C)c1Cl
InChIInChI=1S/C19H22ClNO2/c1-14-10-18(11-15(2)19(14)20)23-17-5-3-4-16(12-17)13-21-6-8-22-9-7-21/h3-5,10-12H,6-9,13H2,1-2H3
InChIKeyMSXWOBOYAYSQCS-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.58
Rot. Bonds4

About 4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine

4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine (PubChem CID 71602091) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine
PubChem CID71602091
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine
SMILESCc1cc(Oc2cccc(CN3CCOCC3)c2)cc(C)c1Cl
InChIInChI=1S/C19H22ClNO2/c1-14-10-18(11-15(2)19(14)20)23-17-5-3-4-16(12-17)13-21-6-8-22-9-7-21/h3-5,10-12H,6-9,13H2,1-2H3
InChIKeyMSXWOBOYAYSQCS-UHFFFAOYSA-N
XLogP4.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine (CID 71602091) is 4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine is Cc1cc(Oc2cccc(CN3CCOCC3)c2)cc(C)c1Cl.
What is the InChIKey of 4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine?
The InChIKey is MSXWOBOYAYSQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14-10-18(11-15(2)19(14)20)23-17-5-3-4-16(12-17)13-21-6-8-22-9-7-21/h3-5,10-12H,6-9,13H2,1-2H3.
What are the key properties of 4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine?
4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine has a molecular weight of 331.84 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]morpholine is sourced from PubChem (CID 71602091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).