1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine

C17H15BrN2 — CID 60923508

IUPAC1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C17H15BrN2/c1-19-17(12-6-8-15(18)9-7-12)14-10-13-4-2-3-5-16(13)20-11-14/h2-11,17,19H,1H3
InChIKeyCMIPGFDFWCKVQL-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.31
Rot. Bonds3

About 1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine

1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine (PubChem CID 60923508) 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-3-ylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine
PubChem CID60923508
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C17H15BrN2/c1-19-17(12-6-8-15(18)9-7-12)14-10-13-4-2-3-5-16(13)20-11-14/h2-11,17,19H,1H3
InChIKeyCMIPGFDFWCKVQL-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

1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097865
N-methyl-1-(2-methylphenyl)-1-quinolin-3-ylmethanamine
CID 60924531
1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115797603
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 103444108
1-(2,5-dimethylphenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798284
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-quinolin-3-ylmethanamine
CID 105097381
N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine
CID 60923858
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 81268272
1-(6-methoxypyridazin-3-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 103374160
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097449
1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798023
1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021051

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine (CID 60923508) is 1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine is CNC(c1ccc(Br)cc1)c1cnc2ccccc2c1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine?
The InChIKey is CMIPGFDFWCKVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-19-17(12-6-8-15(18)9-7-12)14-10-13-4-2-3-5-16(13)20-11-14/h2-11,17,19H,1H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine?
1-(4-bromophenyl)-N-methyl-1-quinolin-3-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-3-ylmethanamine is sourced from PubChem (CID 60923508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).