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

C16H21BrN2 — CID 107081149

IUPAC3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine
SMILESCC(C)CCN(C)c1nc2ccccc2cc1CBr
InChIInChI=1S/C16H21BrN2/c1-12(2)8-9-19(3)16-14(11-17)10-13-6-4-5-7-15(13)18-16/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyMPLWWCOWMOXXIU-UHFFFAOYSA-N
MW321.26 g/mol
LogP4.61
Rot. Bonds5

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

3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine (PubChem CID 107081149) has the molecular formula C16H21BrN2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine
PubChem CID107081149
Molecular FormulaC16H21BrN2
Molecular Weight321.26 g/mol
Exact Mass320.09
IUPAC Name3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine
SMILESCC(C)CCN(C)c1nc2ccccc2cc1CBr
InChIInChI=1S/C16H21BrN2/c1-12(2)8-9-19(3)16-14(11-17)10-13-6-4-5-7-15(13)18-16/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyMPLWWCOWMOXXIU-UHFFFAOYSA-N
XLogP4.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 54.61
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-(2-methylphenyl)quinolin-2-amine
CID 107082571
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
N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 175306450
3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine
CID 43296074
3-[[3-(bromomethyl)quinolin-2-yl]-propan-2-ylamino]propanenitrile
CID 107081859
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
4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine
CID 80796340
2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile
CID 115681062

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine?
The IUPAC name of 3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine (CID 107081149) is 3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine is CC(C)CCN(C)c1nc2ccccc2cc1CBr.
What is the InChIKey of 3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine?
The InChIKey is MPLWWCOWMOXXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2/c1-12(2)8-9-19(3)16-14(11-17)10-13-6-4-5-7-15(13)18-16/h4-7,10,12H,8-9,11H2,1-3H3.
What are the key properties of 3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine?
3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine has a molecular weight of 321.26 g/mol, XLogP of 4.61, 5 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-(3-methylbutyl)quinolin-2-amine is sourced from PubChem (CID 107081149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).