1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine

C17H14BrClN2 — CID 107994637

IUPAC1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1ccc(Cl)cc1Br)c1cccc2ncccc12
InChIInChI=1S/C17H14BrClN2/c1-20-17(14-8-7-11(19)10-15(14)18)13-4-2-6-16-12(13)5-3-9-21-16/h2-10,17,20H,1H3
InChIKeyGCQQTKOIUXBUKH-UHFFFAOYSA-N
MW361.67 g/mol
LogP4.96
Rot. Bonds3

About 1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine

1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine (PubChem CID 107994637) has the molecular formula C17H14BrClN2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
PubChem CID107994637
Molecular FormulaC17H14BrClN2
Molecular Weight361.67 g/mol
Exact Mass360.00
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1ccc(Cl)cc1Br)c1cccc2ncccc12
InChIInChI=1S/C17H14BrClN2/c1-20-17(14-8-7-11(19)10-15(14)18)13-4-2-6-16-12(13)5-3-9-21-16/h2-10,17,20H,1H3
InChIKeyGCQQTKOIUXBUKH-UHFFFAOYSA-N
XLogP4.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.67
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 115604968
1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020044
[(2,4-dichlorophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105326912
1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020092
1-(3,5-dimethylphenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020075
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 106648191
N-methyl-1-(3-methylphenyl)-1-quinolin-5-ylmethanamine
CID 81220394
2-(4-chlorophenyl)-N-methyl-1-quinolin-5-ylethanamine
CID 81210403
[(2-bromophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105208734
[(2-bromo-4-chlorophenyl)-quinolin-8-ylmethyl]hydrazine
CID 107997224
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 107987636
1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 107987565

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine (CID 107994637) is 1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine is CNC(c1ccc(Cl)cc1Br)c1cccc2ncccc12.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The InChIKey is GCQQTKOIUXBUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2/c1-20-17(14-8-7-11(19)10-15(14)18)13-4-2-6-16-12(13)5-3-9-21-16/h2-10,17,20H,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine has a molecular weight of 361.67 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine is sourced from PubChem (CID 107994637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).