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'}

Analyze 4-(bromomethyl)-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-1,2,3,4-tetrahydroquinolin-4-amine
CID 29243671
N-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)methanamine;hydrochloride
CID 165145771
4-(ethylsulfonylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104486
4-[2-(4-ethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63867355
4-[2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63866885
4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid
CID 67780838
N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)acetamide
CID 165439324
4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63866891
4-[(2,3-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63866886
4-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63868794
(7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 83672603
3-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)butan-1-amine
CID 102913688

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).