1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine

C17H14BrFN2 — CID 106648191

IUPAC1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
SMILESCNC(c1cccc(Br)c1F)c1ccnc2ccccc12
InChIInChI=1S/C17H14BrFN2/c1-20-17(13-6-4-7-14(18)16(13)19)12-9-10-21-15-8-3-2-5-11(12)15/h2-10,17,20H,1H3
InChIKeyLYKQYGHERUULGR-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.45
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine

1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine (PubChem CID 106648191) has the molecular formula C17H14BrFN2 and a molecular weight of 345.22 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
PubChem CID106648191
Molecular FormulaC17H14BrFN2
Molecular Weight345.22 g/mol
Exact Mass344.03
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
SMILESCNC(c1cccc(Br)c1F)c1ccnc2ccccc12
InChIInChI=1S/C17H14BrFN2/c1-20-17(13-6-4-7-14(18)16(13)19)12-9-10-21-15-8-3-2-5-11(12)15/h2-10,17,20H,1H3
InChIKeyLYKQYGHERUULGR-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine
CID 106645604
1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106858995
1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105396938
1-(3-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 107952904
1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105142364
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 106646006
1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020092
1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 107994637
1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 78917800
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 107953930
1-(3-bromo-2-fluorophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
CID 107953374
[(2-bromophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105208734

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine (CID 106648191) is 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine is CNC(c1cccc(Br)c1F)c1ccnc2ccccc12.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine?
The InChIKey is LYKQYGHERUULGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2/c1-20-17(13-6-4-7-14(18)16(13)19)12-9-10-21-15-8-3-2-5-11(12)15/h2-10,17,20H,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine?
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine has a molecular weight of 345.22 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine is sourced from PubChem (CID 106648191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).