1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine

C17H15BrN2 — CID 78917786

IUPAC1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cccc2cccnc12
InChIInChI=1S/C17H15BrN2/c1-19-16(13-7-9-14(18)10-8-13)15-6-2-4-12-5-3-11-20-17(12)15/h2-11,16,19H,1H3
InChIKeyLUKUGRAFDQGFLZ-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.31
Rot. Bonds3

About 1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine

1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine (PubChem CID 78917786) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine
PubChem CID78917786
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cccc2cccnc12
InChIInChI=1S/C17H15BrN2/c1-19-16(13-7-9-14(18)10-8-13)15-6-2-4-12-5-3-11-20-17(12)15/h2-11,16,19H,1H3
InChIKeyLUKUGRAFDQGFLZ-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine
CID 105021332
1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105172538
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-8-ylmethanamine
CID 106755698
N-methyl-1-(2-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172443
N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine
CID 105155395
N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172541
1-(2,6-difluorophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 81229518
1-(5-chlorofuran-2-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 106692805
[(3,5-dibromophenyl)-quinolin-8-ylmethyl]hydrazine
CID 107979324
[(4-methoxyphenyl)-quinolin-8-ylmethyl]hydrazine
CID 105190768
N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine
CID 105172471
[(4-fluorophenyl)-quinolin-8-ylmethyl]hydrazine
CID 105192623

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine (CID 78917786) is 1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine is CNC(c1ccc(Br)cc1)c1cccc2cccnc12.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine?
The InChIKey is LUKUGRAFDQGFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-19-16(13-7-9-14(18)10-8-13)15-6-2-4-12-5-3-11-20-17(12)15/h2-11,16,19H,1H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine?
1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine has a molecular weight of 327.23 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 78917786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).