1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine

C18H17BrN2 — CID 105021051

IUPAC1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
SMILESCNC(c1ccc(C)c(Br)c1)c1ccc2ncccc2c1
InChIInChI=1S/C18H17BrN2/c1-12-5-6-15(11-16(12)19)18(20-2)14-7-8-17-13(10-14)4-3-9-21-17/h3-11,18,20H,1-2H3
InChIKeyRPIQMLAHGKABOT-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.61
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine

1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine (PubChem CID 105021051) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
PubChem CID105021051
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
SMILESCNC(c1ccc(C)c(Br)c1)c1ccc2ncccc2c1
InChIInChI=1S/C18H17BrN2/c1-12-5-6-15(11-16(12)19)18(20-2)14-7-8-17-13(10-14)4-3-9-21-17/h3-11,18,20H,1-2H3
InChIKeyRPIQMLAHGKABOT-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096854
[(3-bromo-4-methylphenyl)-quinolin-7-ylmethyl]hydrazine
CID 105327512
1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021001
1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021072
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105020999
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 114651360
N-methyl-1-(2-methylpyrimidin-4-yl)-1-quinolin-6-ylmethanamine
CID 115530668
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096681
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 115790289
[(3-chloro-4-methylphenyl)-quinolin-6-ylmethyl]hydrazine
CID 105327312
[(4-bromo-2-methylphenyl)-quinolin-6-ylmethyl]hydrazine
CID 105327263
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105172398

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine (CID 105021051) is 1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine is CNC(c1ccc(C)c(Br)c1)c1ccc2ncccc2c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine?
The InChIKey is RPIQMLAHGKABOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-12-5-6-15(11-16(12)19)18(20-2)14-7-8-17-13(10-14)4-3-9-21-17/h3-11,18,20H,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine?
1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine has a molecular weight of 341.25 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine is sourced from PubChem (CID 105021051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).