4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

C17H17BrFN — CID 79740656

IUPAC4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(Cc2cc(Br)ccc2F)c2ccccc2N1
InChIInChI=1S/C17H17BrFN/c1-11-8-12(15-4-2-3-5-17(15)20-11)9-13-10-14(18)6-7-16(13)19/h2-7,10-12,20H,8-9H2,1H3
InChIKeyHULFOBJIYJRCAJ-UHFFFAOYSA-N
MW334.23 g/mol
LogP5.12
Rot. Bonds2

About 4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 79740656) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID79740656
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(Cc2cc(Br)ccc2F)c2ccccc2N1
InChIInChI=1S/C17H17BrFN/c1-11-8-12(15-4-2-3-5-17(15)20-11)9-13-10-14(18)6-7-16(13)19/h2-7,10-12,20H,8-9H2,1H3
InChIKeyHULFOBJIYJRCAJ-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.23
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline 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-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 103396615
4-[(2,6-difluoro-3-methylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82802179
4-benzyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79234771
4-[2-(2,6-difluorophenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 114933231
2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79234860
2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline
CID 106778499
4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 115502890
2-[1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 63235168
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
(2S,4S)-N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629624
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404945

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (CID 79740656) is 4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is CC1CC(Cc2cc(Br)ccc2F)c2ccccc2N1.
What is the InChIKey of 4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HULFOBJIYJRCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c1-11-8-12(15-4-2-3-5-17(15)20-11)9-13-10-14(18)6-7-16(13)19/h2-7,10-12,20H,8-9H2,1H3.
What are the key properties of 4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 334.23 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 79740656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).