2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline

C17H15BrN2 — CID 105378188

IUPAC2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline
SMILESCc1ccc2cc(CNc3ccccc3Br)ccc2n1
InChIInChI=1S/C17H15BrN2/c1-12-6-8-14-10-13(7-9-16(14)20-12)11-19-17-5-3-2-4-15(17)18/h2-10,19H,11H2,1H3
InChIKeyAPQPHFCLDNYUQM-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.92
Rot. Bonds3

About 2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline

2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline (PubChem CID 105378188) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline
PubChem CID105378188
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline
SMILESCc1ccc2cc(CNc3ccccc3Br)ccc2n1
InChIInChI=1S/C17H15BrN2/c1-12-6-8-14-10-13(7-9-16(14)20-12)11-19-17-5-3-2-4-15(17)18/h2-10,19H,11H2,1H3
InChIKeyAPQPHFCLDNYUQM-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 105378259
4-bromo-3-chloro-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 107618952
3-bromo-4-fluoro-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 105378667
2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 105378164
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
N-[(4-bromo-3-methylphenyl)methyl]-2-methylquinolin-8-amine
CID 66473623
N-[(2-methylquinolin-6-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline
CID 124621316
N-[(2-methylquinolin-6-yl)methyl]-3-(methylsulfinylmethyl)aniline
CID 122150026
1-(2-methylquinolin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 105378208
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine
CID 105378521

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline?
The IUPAC name of 2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline (CID 105378188) is 2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline?
The canonical SMILES for 2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline is Cc1ccc2cc(CNc3ccccc3Br)ccc2n1.
What is the InChIKey of 2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline?
The InChIKey is APQPHFCLDNYUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-12-6-8-14-10-13(7-9-16(14)20-12)11-19-17-5-3-2-4-15(17)18/h2-10,19H,11H2,1H3.
What are the key properties of 2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline?
2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline has a molecular weight of 327.23 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline is sourced from PubChem (CID 105378188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).