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

C17H14BrClN2 — CID 105020044

IUPAC1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1ccc(Br)cc1Cl)c1cccc2ncccc12
InChIInChI=1S/C17H14BrClN2/c1-20-17(14-8-7-11(18)10-15(14)19)13-4-2-6-16-12(13)5-3-9-21-16/h2-10,17,20H,1H3
InChIKeyLQCXRMFNTDUKNX-UHFFFAOYSA-N
MW361.67 g/mol
LogP4.96
Rot. Bonds3

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

1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine (PubChem CID 105020044) has the molecular formula C17H14BrClN2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
PubChem CID105020044
Molecular FormulaC17H14BrClN2
Molecular Weight361.67 g/mol
Exact Mass360.00
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1ccc(Br)cc1Cl)c1cccc2ncccc12
InChIInChI=1S/C17H14BrClN2/c1-20-17(14-8-7-11(18)10-15(14)19)13-4-2-6-16-12(13)5-3-9-21-16/h2-10,17,20H,1H3
InChIKeyLQCXRMFNTDUKNX-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-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 107994637
[(2,4-dichlorophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105326912
N-methyl-1-(3-methylphenyl)-1-quinolin-5-ylmethanamine
CID 81220394
1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020092
1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
CID 43805215
1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 78917800
1-(3,5-dimethylphenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020075
1-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105396938
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 106648191
N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-5-ylmethanamine
CID 105155662
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020135

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine (CID 105020044) is 1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine is CNC(c1ccc(Br)cc1Cl)c1cccc2ncccc12.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The InChIKey is LQCXRMFNTDUKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2/c1-20-17(14-8-7-11(18)10-15(14)19)13-4-2-6-16-12(13)5-3-9-21-16/h2-10,17,20H,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
1-(4-bromo-2-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-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine is sourced from PubChem (CID 105020044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).