8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline

C16H15BrFNO — CID 63423959

IUPAC8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc(COc2cccc3c2NCCC3)cc1Br
InChIInChI=1S/C16H15BrFNO/c17-13-9-11(6-7-14(13)18)10-20-15-5-1-3-12-4-2-8-19-16(12)15/h1,3,5-7,9,19H,2,4,8,10H2
InChIKeyFMBUUWFEKCFJHB-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.53
Rot. Bonds3

About 8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline

8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 63423959) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID63423959
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc(COc2cccc3c2NCCC3)cc1Br
InChIInChI=1S/C16H15BrFNO/c17-13-9-11(6-7-14(13)18)10-20-15-5-1-3-12-4-2-8-19-16(12)15/h1,3,5-7,9,19H,2,4,8,10H2
InChIKeyFMBUUWFEKCFJHB-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

sodium 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
CID 59368663
8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115984072
ethyl 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
CID 59368737
8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61027694
1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 63457062
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 54909171
methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
CID 59368851
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 54909301
3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole
CID 54909170

Frequently Asked Questions

What is the IUPAC name of 8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 63423959) is 8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline is Fc1ccc(COc2cccc3c2NCCC3)cc1Br.
What is the InChIKey of 8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is FMBUUWFEKCFJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-13-9-11(6-7-14(13)18)10-20-15-5-1-3-12-4-2-8-19-16(12)15/h1,3,5-7,9,19H,2,4,8,10H2.
What are the key properties of 8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline?
8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 336.20 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63423959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).