3-(bromomethyl)-N,N-dibutylquinolin-2-amine

C18H25BrN2 — CID 107079757

IUPAC3-(bromomethyl)-N,N-dibutylquinolin-2-amine
SMILESCCCCN(CCCC)c1nc2ccccc2cc1CBr
InChIInChI=1S/C18H25BrN2/c1-3-5-11-21(12-6-4-2)18-16(14-19)13-15-9-7-8-10-17(15)20-18/h7-10,13H,3-6,11-12,14H2,1-2H3
InChIKeyLCBXSHWWXDDPGO-UHFFFAOYSA-N
MW349.32 g/mol
LogP5.54
Rot. Bonds8

About 3-(bromomethyl)-N,N-dibutylquinolin-2-amine

3-(bromomethyl)-N,N-dibutylquinolin-2-amine (PubChem CID 107079757) has the molecular formula C18H25BrN2 and a molecular weight of 349.32 g/mol. Its IUPAC name is 3-(bromomethyl)-N,N-dibutylquinolin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N,N-dibutylquinolin-2-amine
PubChem CID107079757
Molecular FormulaC18H25BrN2
Molecular Weight349.32 g/mol
Exact Mass348.12
IUPAC Name3-(bromomethyl)-N,N-dibutylquinolin-2-amine
SMILESCCCCN(CCCC)c1nc2ccccc2cc1CBr
InChIInChI=1S/C18H25BrN2/c1-3-5-11-21(12-6-4-2)18-16(14-19)13-15-9-7-8-10-17(15)20-18/h7-10,13H,3-6,11-12,14H2,1-2H3
InChIKeyLCBXSHWWXDDPGO-UHFFFAOYSA-N
XLogP5.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.32
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(bromomethyl)-N,N-dibutylquinolin-2-amine 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

3-(aminomethyl)-N,N-dibutylquinolin-2-amine
CID 28983445
N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 107085501
3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine
CID 107079806
3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 107081149
3-[[3-(bromomethyl)quinolin-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 107083470
3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine
CID 107082571
2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
CID 28952092
3-[[3-(bromomethyl)quinolin-2-yl]-propan-2-ylamino]propanenitrile
CID 107081859
N,N-dibutylquinolin-2-amine
CID 125488581
acridine;heptane
CID 158562494
3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine
CID 61445208
N,N-diethyl-3-(ethylaminomethyl)quinolin-2-amine
CID 43280352

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N,N-dibutylquinolin-2-amine?
The IUPAC name of 3-(bromomethyl)-N,N-dibutylquinolin-2-amine (CID 107079757) is 3-(bromomethyl)-N,N-dibutylquinolin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N,N-dibutylquinolin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N,N-dibutylquinolin-2-amine is CCCCN(CCCC)c1nc2ccccc2cc1CBr.
What is the InChIKey of 3-(bromomethyl)-N,N-dibutylquinolin-2-amine?
The InChIKey is LCBXSHWWXDDPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2/c1-3-5-11-21(12-6-4-2)18-16(14-19)13-15-9-7-8-10-17(15)20-18/h7-10,13H,3-6,11-12,14H2,1-2H3.
What are the key properties of 3-(bromomethyl)-N,N-dibutylquinolin-2-amine?
3-(bromomethyl)-N,N-dibutylquinolin-2-amine has a molecular weight of 349.32 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-N,N-dibutylquinolin-2-amine is sourced from PubChem (CID 107079757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).