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

C18H23BrN2 — CID 107081479

IUPAC3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine
SMILESCC1CCCC(N(C)c2nc3ccccc3cc2CBr)C1
InChIInChI=1S/C18H23BrN2/c1-13-6-5-8-16(10-13)21(2)18-15(12-19)11-14-7-3-4-9-17(14)20-18/h3-4,7,9,11,13,16H,5-6,8,10,12H2,1-2H3
InChIKeyACKVTHYIBASUTK-UHFFFAOYSA-N
MW347.30 g/mol
LogP5.14
Rot. Bonds3

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

3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine (PubChem CID 107081479) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine
PubChem CID107081479
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine
SMILESCC1CCCC(N(C)c2nc3ccccc3cc2CBr)C1
InChIInChI=1S/C18H23BrN2/c1-13-6-5-8-16(10-13)21(2)18-15(12-19)11-14-7-3-4-9-17(14)20-18/h3-4,7,9,11,13,16H,5-6,8,10,12H2,1-2H3
InChIKeyACKVTHYIBASUTK-UHFFFAOYSA-N
XLogP5.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 55.14
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

Quipazine
CID 5011
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
N-Methylquipazine
CID 5013
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
N,N-dimethylquinolin-2-amine
CID 588801
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275
2-(4-Cyclopropyl-piperazin-1-yl)-quinoline
CID 11324846
2-(4-Cyclopentylpiperazin-1-yl)quinoline
CID 11337173
2-(4-Isopropyl-piperazin-1-yl)-quinoline
CID 11393294
7-[[[3-[(Dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-Amine
CID 91971387

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine?
The IUPAC name of 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine (CID 107081479) is 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine is CC1CCCC(N(C)c2nc3ccccc3cc2CBr)C1.
What is the InChIKey of 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine?
The InChIKey is ACKVTHYIBASUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-13-6-5-8-16(10-13)21(2)18-15(12-19)11-14-7-3-4-9-17(14)20-18/h3-4,7,9,11,13,16H,5-6,8,10,12H2,1-2H3.
What are the key properties of 3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine?
3-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)quinolin-2-amine has a molecular weight of 347.30 g/mol, XLogP of 5.14, 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-(3-methylcyclohexyl)quinolin-2-amine is sourced from PubChem (CID 107081479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).