4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine

C15H19FN2 — CID 82577711

IUPAC4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine
SMILESCc1cc(C)c2cc(F)cc(CCCCN)c2n1
InChIInChI=1S/C15H19FN2/c1-10-7-11(2)18-15-12(5-3-4-6-17)8-13(16)9-14(10)15/h7-9H,3-6,17H2,1-2H3
InChIKeyVZNPXBNCFYVNLK-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.27
Rot. Bonds4

About 4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine

4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine (PubChem CID 82577711) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine.

Molecular Properties

Compound Name4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine
PubChem CID82577711
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine
SMILESCc1cc(C)c2cc(F)cc(CCCCN)c2n1
InChIInChI=1S/C15H19FN2/c1-10-7-11(2)18-15-12(5-3-4-6-17)8-13(16)9-14(10)15/h7-9H,3-6,17H2,1-2H3
InChIKeyVZNPXBNCFYVNLK-UHFFFAOYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-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

6,8-difluoro-2,4-dimethylquinoline;ethane
CID 145015190
3-(6-fluoro-4-methylquinolin-8-yl)propan-1-amine
CID 82576579
4-(8-fluoro-6-iodo-2-methylquinolin-4-yl)butan-1-amine
CID 82577827
4-(5,8-difluoro-2-methylquinolin-4-yl)butan-1-amine
CID 82577793
4-(3,5-difluoro-2-methylphenyl)butan-1-amine
CID 117288653
(6,8-difluoro-2-methylquinolin-4-yl)methanamine
CID 82507508
(8-fluoro-2,4-dimethylquinolin-6-yl)methanol
CID 82576373
3-(2,8-dimethylquinolin-4-yl)propan-1-amine
CID 82576634
4-(5,6,8-trichloro-2-methylquinolin-4-yl)butan-1-amine
CID 82577824
1-(6-fluoro-2,4-dimethylquinolin-8-yl)ethanol
CID 82575954
3-(6-fluoroquinolin-8-yl)propan-1-amine
CID 82576719
3-(6-fluoro-4-methoxy-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577151

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine?
The IUPAC name of 4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine (CID 82577711) is 4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine.
What is the SMILES notation for 4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine?
The canonical SMILES for 4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine is Cc1cc(C)c2cc(F)cc(CCCCN)c2n1.
What is the InChIKey of 4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine?
The InChIKey is VZNPXBNCFYVNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-7-11(2)18-15-12(5-3-4-6-17)8-13(16)9-14(10)15/h7-9H,3-6,17H2,1-2H3.
What are the key properties of 4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine?
4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine has a molecular weight of 246.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,4-dimethylquinolin-8-yl)butan-1-amine is sourced from PubChem (CID 82577711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).