4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine

C20H23BrFNO2 — CID 170870233

IUPAC4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine
SMILESFc1ccccc1COc1ccc(Br)cc1CCCN1CCOCC1
InChIInChI=1S/C20H23BrFNO2/c21-18-7-8-20(25-15-17-4-1-2-6-19(17)22)16(14-18)5-3-9-23-10-12-24-13-11-23/h1-2,4,6-8,14H,3,5,9-13,15H2
InChIKeyZLHOCPLMHVSOEQ-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.43
Rot. Bonds7

About 4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine

4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine (PubChem CID 170870233) has the molecular formula C20H23BrFNO2 and a molecular weight of 408.31 g/mol. Its IUPAC name is 4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine
PubChem CID170870233
Molecular FormulaC20H23BrFNO2
Molecular Weight408.31 g/mol
Exact Mass407.09
IUPAC Name4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine
SMILESFc1ccccc1COc1ccc(Br)cc1CCCN1CCOCC1
InChIInChI=1S/C20H23BrFNO2/c21-18-7-8-20(25-15-17-4-1-2-6-19(17)22)16(14-18)5-3-9-23-10-12-24-13-11-23/h1-2,4,6-8,14H,3,5,9-13,15H2
InChIKeyZLHOCPLMHVSOEQ-UHFFFAOYSA-N
XLogP4.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
CID 170869222
4-[3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870417
4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine
CID 170870322
1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
4-[3-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870408
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
CID 28981507
4-[3-[2-(2-fluorophenyl)phenyl]propyl]morpholine
CID 170869953
4-[3-[2-[(3-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870365
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289446
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718565

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine (CID 170870233) is 4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine is Fc1ccccc1COc1ccc(Br)cc1CCCN1CCOCC1.
What is the InChIKey of 4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine?
The InChIKey is ZLHOCPLMHVSOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFNO2/c21-18-7-8-20(25-15-17-4-1-2-6-19(17)22)16(14-18)5-3-9-23-10-12-24-13-11-23/h1-2,4,6-8,14H,3,5,9-13,15H2.
What are the key properties of 4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine?
4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine has a molecular weight of 408.31 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine is sourced from PubChem (CID 170870233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).