4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine

C17H17BrFNO — CID 171363825

IUPAC4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine
SMILESFc1ccccc1-c1ccc(Br)cc1CN1CCOCC1
InChIInChI=1S/C17H17BrFNO/c18-14-5-6-15(16-3-1-2-4-17(16)19)13(11-14)12-20-7-9-21-10-8-20/h1-6,11H,7-10,12H2
InChIKeyNFUNCOWKUCKWPY-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.09
Rot. Bonds3

About 4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine

4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine (PubChem CID 171363825) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine
PubChem CID171363825
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine
SMILESFc1ccccc1-c1ccc(Br)cc1CN1CCOCC1
InChIInChI=1S/C17H17BrFNO/c18-14-5-6-15(16-3-1-2-4-17(16)19)13(11-14)12-20-7-9-21-10-8-20/h1-6,11H,7-10,12H2
InChIKeyNFUNCOWKUCKWPY-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Bromobenzyl)morpholine
CID 783082
4-(4-Bromobenzyl)morpholine
CID 783503
4-(4-Bromo-2-fluorobenzyl)morpholine
CID 21914503
4-(3-Bromo-4-fluorobenzyl)morpholine
CID 782859
3-[(3-Bromo-4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]propanenitrile
CID 72111361
4-[1-(4-Bromophenyl)-3-phenylprop-2-ynyl]morpholine
CID 12101507
4-(3-Bromo-4-fluorobenzyl)-2,6-dimethylmorpholine
CID 23736353
4-(5-Bromo-2-fluorobenzyl)morpholine
CID 22285325
4-(2-Bromo-4-fluorobenzyl)morpholine
CID 51075174
4-(4-Bromo-3-fluorobenzyl)morpholine
CID 53417818
cis-4-(4-Bromo-2-fluorobenzyl)-2,6-dimethylmorpholine
CID 58266689
4-(4-Bromo-2,6-difluorobenzyl)morpholine
CID 59392758

Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine (CID 171363825) is 4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine is Fc1ccccc1-c1ccc(Br)cc1CN1CCOCC1.
What is the InChIKey of 4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine?
The InChIKey is NFUNCOWKUCKWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c18-14-5-6-15(16-3-1-2-4-17(16)19)13(11-14)12-20-7-9-21-10-8-20/h1-6,11H,7-10,12H2.
What are the key properties of 4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine?
4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine has a molecular weight of 350.23 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-2-(2-fluorophenyl)phenyl]methyl]morpholine is sourced from PubChem (CID 171363825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).