4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine

C22H27Cl2NO3 — CID 170870173

IUPAC4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine
SMILESCCOc1cc(CCCN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H27Cl2NO3/c1-2-27-22-14-17(4-3-9-25-10-12-26-13-11-25)5-8-21(22)28-16-18-6-7-19(23)15-20(18)24/h5-8,14-15H,2-4,9-13,16H2,1H3
InChIKeyLVFPPVFNUUSRCO-UHFFFAOYSA-N
MW424.37 g/mol
LogP5.24
Rot. Bonds9

About 4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine

4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine (PubChem CID 170870173) has the molecular formula C22H27Cl2NO3 and a molecular weight of 424.37 g/mol. Its IUPAC name is 4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine
PubChem CID170870173
Molecular FormulaC22H27Cl2NO3
Molecular Weight424.37 g/mol
Exact Mass423.14
IUPAC Name4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine
SMILESCCOc1cc(CCCN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H27Cl2NO3/c1-2-27-22-14-17(4-3-9-25-10-12-26-13-11-25)5-8-21(22)28-16-18-6-7-19(23)15-20(18)24/h5-8,14-15H,2-4,9-13,16H2,1H3
InChIKeyLVFPPVFNUUSRCO-UHFFFAOYSA-N
XLogP5.24
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.37
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722106
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 170867775
4-[3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870417
4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine
CID 170870404
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene
CID 43324659
4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine
CID 177027735
4-[3-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870408
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 66538063
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 66538087

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine?
The IUPAC name of 4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine (CID 170870173) is 4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine is CCOc1cc(CCCN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine?
The InChIKey is LVFPPVFNUUSRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO3/c1-2-27-22-14-17(4-3-9-25-10-12-26-13-11-25)5-8-21(22)28-16-18-6-7-19(23)15-20(18)24/h5-8,14-15H,2-4,9-13,16H2,1H3.
What are the key properties of 4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine?
4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine has a molecular weight of 424.37 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine is sourced from PubChem (CID 170870173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).