4-(bromomethyl)-1,2,3,4-tetrahydroquinoline

C10H12BrN — CID 119093179

IUPAC4-(bromomethyl)-1,2,3,4-tetrahydroquinoline
SMILESBrCC1CCNc2ccccc21
InChIInChI=1S/C10H12BrN/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8,12H,5-7H2
InChIKeyQDOYMVKUAOEIMX-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.98
Rot. Bonds1

About 4-(bromomethyl)-1,2,3,4-tetrahydroquinoline

4-(bromomethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 119093179) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 4-(bromomethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(bromomethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID119093179
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name4-(bromomethyl)-1,2,3,4-tetrahydroquinoline
SMILESBrCC1CCNc2ccccc21
InChIInChI=1S/C10H12BrN/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8,12H,5-7H2
InChIKeyQDOYMVKUAOEIMX-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.98
H-Bond Donors ≤ 51
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 4-(bromomethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(bromomethyl)-1,2,3,4-tetrahydroquinoline (CID 119093179) is 4-(bromomethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(bromomethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(bromomethyl)-1,2,3,4-tetrahydroquinoline is BrCC1CCNc2ccccc21.
What is the InChIKey of 4-(bromomethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is QDOYMVKUAOEIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8,12H,5-7H2.
What are the key properties of 4-(bromomethyl)-1,2,3,4-tetrahydroquinoline?
4-(bromomethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 226.12 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 119093179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).