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

C13H17BrFNO — CID 170869222

IUPAC4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
SMILESFc1ccc(Br)cc1CCCN1CCOCC1
InChIInChI=1S/C13H17BrFNO/c14-12-3-4-13(15)11(10-12)2-1-5-16-6-8-17-9-7-16/h3-4,10H,1-2,5-9H2
InChIKeyCAFVLDAPPVCFNF-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.85
Rot. Bonds4

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

4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine (PubChem CID 170869222) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
PubChem CID170869222
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
SMILESFc1ccc(Br)cc1CCCN1CCOCC1
InChIInChI=1S/C13H17BrFNO/c14-12-3-4-13(15)11(10-12)2-1-5-16-6-8-17-9-7-16/h3-4,10H,1-2,5-9H2
InChIKeyCAFVLDAPPVCFNF-UHFFFAOYSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870233
4-[3-(4-bromo-2-methylphenyl)propyl]morpholine
CID 170870052
1-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111077848
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738
4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine
CID 170870098
4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine
CID 170869770
4-[3-[2-(2-fluorophenyl)phenyl]propyl]morpholine
CID 170869953
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[3-(6-fluoro-1-methylindol-3-yl)propyl]morpholine
CID 170871004
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869741
4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine
CID 170870966

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine?
The IUPAC name of 4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine (CID 170869222) is 4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine is Fc1ccc(Br)cc1CCCN1CCOCC1.
What is the InChIKey of 4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine?
The InChIKey is CAFVLDAPPVCFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-12-3-4-13(15)11(10-12)2-1-5-16-6-8-17-9-7-16/h3-4,10H,1-2,5-9H2.
What are the key properties of 4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine?
4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine has a molecular weight of 302.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine is sourced from PubChem (CID 170869222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).