4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine

C14H19Cl2NO3 — CID 154101091

IUPAC4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine
SMILESCCC(Oc1cc(Cl)cc(Cl)c1OC)N1CCOCC1
InChIInChI=1S/C14H19Cl2NO3/c1-3-13(17-4-6-19-7-5-17)20-12-9-10(15)8-11(16)14(12)18-2/h8-9,13H,3-7H2,1-2H3
InChIKeyOGJKWIKNQMFMDP-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.45
Rot. Bonds5

About 4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine

4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine (PubChem CID 154101091) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine
PubChem CID154101091
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine
SMILESCCC(Oc1cc(Cl)cc(Cl)c1OC)N1CCOCC1
InChIInChI=1S/C14H19Cl2NO3/c1-3-13(17-4-6-19-7-5-17)20-12-9-10(15)8-11(16)14(12)18-2/h8-9,13H,3-7H2,1-2H3
InChIKeyOGJKWIKNQMFMDP-UHFFFAOYSA-N
XLogP3.45
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dichloro-2-methoxyphenyl)-morpholin-4-ylmethanethione
CID 3274273
4-[1-(6-methoxyquinolin-7-yl)oxypropyl]morpholine
CID 173078000
4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
CID 110758541
1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine
CID 23318292
2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine
CID 70520039
1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride
CID 88677114
4-[(S)-(4-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
CID 154064131
2-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 56694209
2-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 65021633
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43516184
(3-chloro-4-methoxy-5-propan-2-yloxyphenyl)boronic acid
CID 56776637

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine?
The IUPAC name of 4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine (CID 154101091) is 4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine.
What is the SMILES notation for 4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine?
The canonical SMILES for 4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine is CCC(Oc1cc(Cl)cc(Cl)c1OC)N1CCOCC1.
What is the InChIKey of 4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine?
The InChIKey is OGJKWIKNQMFMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-3-13(17-4-6-19-7-5-17)20-12-9-10(15)8-11(16)14(12)18-2/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine?
4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine has a molecular weight of 320.22 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-dichloro-2-methoxyphenoxy)propyl]morpholine is sourced from PubChem (CID 154101091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).