2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline

C17H14BrFN2 — CID 79233279

IUPAC2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
SMILESCc1cc(CNc2ccc(F)cc2Br)c2ccccc2n1
InChIInChI=1S/C17H14BrFN2/c1-11-8-12(14-4-2-3-5-16(14)21-11)10-20-17-7-6-13(19)9-15(17)18/h2-9,20H,10H2,1H3
InChIKeyOABIXRYGPGRIQP-UHFFFAOYSA-N
MW345.22 g/mol
LogP5.06
Rot. Bonds3

About 2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline

2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline (PubChem CID 79233279) has the molecular formula C17H14BrFN2 and a molecular weight of 345.22 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
PubChem CID79233279
Molecular FormulaC17H14BrFN2
Molecular Weight345.22 g/mol
Exact Mass344.03
IUPAC Name2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
SMILESCc1cc(CNc2ccc(F)cc2Br)c2ccccc2n1
InChIInChI=1S/C17H14BrFN2/c1-11-8-12(14-4-2-3-5-16(14)21-11)10-20-17-7-6-13(19)9-15(17)18/h2-9,20H,10H2,1H3
InChIKeyOABIXRYGPGRIQP-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.22
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline 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-fluoro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031822
2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 103697091
2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031818
4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031823
4-bromo-3-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233016
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
2-bromo-4-fluoro-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43772487
2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79162906
6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368696
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115959082
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
CID 28585998
2-bromo-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62824778

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline?
The IUPAC name of 2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline (CID 79233279) is 2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline?
The canonical SMILES for 2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline is Cc1cc(CNc2ccc(F)cc2Br)c2ccccc2n1.
What is the InChIKey of 2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline?
The InChIKey is OABIXRYGPGRIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2/c1-11-8-12(14-4-2-3-5-16(14)21-11)10-20-17-7-6-13(19)9-15(17)18/h2-9,20H,10H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline?
2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline has a molecular weight of 345.22 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline is sourced from PubChem (CID 79233279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).