6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide

C11H15Br2N — CID 91647573

IUPAC6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide
SMILESBr.CN1CCCc2cc(CBr)ccc21
InChIInChI=1S/C11H14BrN.BrH/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13;/h4-5,7H,2-3,6,8H2,1H3;1H
InChIKeyFOSJHMSUIKPLQQ-UHFFFAOYSA-N
MW321.06 g/mol
LogP3.54
Rot. Bonds1

About 6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide

6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide (PubChem CID 91647573) has the molecular formula C11H15Br2N and a molecular weight of 321.06 g/mol. Its IUPAC name is 6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide.

Molecular Properties

Compound Name6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide
PubChem CID91647573
Molecular FormulaC11H15Br2N
Molecular Weight321.06 g/mol
Exact Mass318.96
IUPAC Name6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide
SMILESBr.CN1CCCc2cc(CBr)ccc21
InChIInChI=1S/C11H14BrN.BrH/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13;/h4-5,7H,2-3,6,8H2,1H3;1H
InChIKeyFOSJHMSUIKPLQQ-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide?
The IUPAC name of 6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide (CID 91647573) is 6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide.
What is the SMILES notation for 6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide?
The canonical SMILES for 6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide is Br.CN1CCCc2cc(CBr)ccc21.
What is the InChIKey of 6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide?
The InChIKey is FOSJHMSUIKPLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN.BrH/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13;/h4-5,7H,2-3,6,8H2,1H3;1H.
What are the key properties of 6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide?
6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide has a molecular weight of 321.06 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline;hydrobromide is sourced from PubChem (CID 91647573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).