3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine

C18H17BrN2 — CID 107082571

IUPAC3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine
SMILESCc1ccccc1N(C)c1nc2ccccc2cc1CBr
InChIInChI=1S/C18H17BrN2/c1-13-7-3-6-10-17(13)21(2)18-15(12-19)11-14-8-4-5-9-16(14)20-18/h3-11H,12H2,1-2H3
InChIKeyHDHLLAHPWUMNEG-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.21
Rot. Bonds3

About 3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine

3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine (PubChem CID 107082571) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine
PubChem CID107082571
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine
SMILESCc1ccccc1N(C)c1nc2ccccc2cc1CBr
InChIInChI=1S/C18H17BrN2/c1-13-7-3-6-10-17(13)21(2)18-15(12-19)11-14-8-4-5-9-16(14)20-18/h3-11H,12H2,1-2H3
InChIKeyHDHLLAHPWUMNEG-UHFFFAOYSA-N
XLogP5.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine
CID 107079806
3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 107081149
3-(bromomethyl)-N,N-dibutylquinolin-2-amine
CID 107079757
N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 107085501
3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine
CID 107082348
3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 107081248
3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine
CID 107081479
3-[[3-(bromomethyl)quinolin-2-yl]-propan-2-ylamino]propanenitrile
CID 107081859
3-[[3-(bromomethyl)quinolin-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 107083470
3-(bromomethyl)-2-(4-bromo-3-methylphenoxy)quinoline
CID 107089091
3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 62286545
2-N-methyl-2-N-(3-methylquinolin-2-yl)propane-1,2-diamine
CID 104556733

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine?
The IUPAC name of 3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine (CID 107082571) is 3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine is Cc1ccccc1N(C)c1nc2ccccc2cc1CBr.
What is the InChIKey of 3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine?
The InChIKey is HDHLLAHPWUMNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-13-7-3-6-10-17(13)21(2)18-15(12-19)11-14-8-4-5-9-16(14)20-18/h3-11H,12H2,1-2H3.
What are the key properties of 3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine?
3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine has a molecular weight of 341.25 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine is sourced from PubChem (CID 107082571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).