4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine

C19H21ClFNO2 — CID 170870231

IUPAC4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine
SMILESFc1cc(Oc2ccccc2CCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C19H21ClFNO2/c20-17-8-7-16(14-18(17)21)24-19-6-2-1-4-15(19)5-3-9-22-10-12-23-13-11-22/h1-2,4,6-8,14H,3,5,9-13H2
InChIKeyJMHHFTJTFDQHOD-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.54
Rot. Bonds6

About 4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine

4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine (PubChem CID 170870231) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is 4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine
PubChem CID170870231
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC Name4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine
SMILESFc1cc(Oc2ccccc2CCCN2CCOCC2)ccc1Cl
InChIInChI=1S/C19H21ClFNO2/c20-17-8-7-16(14-18(17)21)24-19-6-2-1-4-15(19)5-3-9-22-10-12-23-13-11-22/h1-2,4,6-8,14H,3,5,9-13H2
InChIKeyJMHHFTJTFDQHOD-UHFFFAOYSA-N
XLogP4.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-naphthalen-2-yloxyphenyl)ethyl]morpholine
CID 142671247
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[3-(2-fluoro-6-phenoxyphenyl)propyl]morpholine
CID 170869692
4-[3-[2-[(3-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870365
4-[3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870417
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[3-[2-(2-fluorophenyl)phenyl]propyl]morpholine
CID 170869953
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
4-[3-[2-(2-methyl-5-propan-2-ylphenoxy)phenyl]propyl]morpholine
CID 170870671
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
CID 170869798

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine (CID 170870231) is 4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine is Fc1cc(Oc2ccccc2CCCN2CCOCC2)ccc1Cl.
What is the InChIKey of 4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine?
The InChIKey is JMHHFTJTFDQHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/c20-17-8-7-16(14-18(17)21)24-19-6-2-1-4-15(19)5-3-9-22-10-12-23-13-11-22/h1-2,4,6-8,14H,3,5,9-13H2.
What are the key properties of 4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine?
4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine has a molecular weight of 349.83 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine is sourced from PubChem (CID 170870231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).