8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine

C13H16FN3 — CID 82243094

IUPAC8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine
SMILESCNCc1cc(N(C)C)c2cccc(F)c2n1
InChIInChI=1S/C13H16FN3/c1-15-8-9-7-12(17(2)3)10-5-4-6-11(14)13(10)16-9/h4-7,15H,8H2,1-3H3
InChIKeyLNVKFVDETGQFRR-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.16
Rot. Bonds3

About 8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine

8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine (PubChem CID 82243094) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine
PubChem CID82243094
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine
SMILESCNCc1cc(N(C)C)c2cccc(F)c2n1
InChIInChI=1S/C13H16FN3/c1-15-8-9-7-12(17(2)3)10-5-4-6-11(14)13(10)16-9/h4-7,15H,8H2,1-3H3
InChIKeyLNVKFVDETGQFRR-UHFFFAOYSA-N
XLogP2.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-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

N,N,8-trimethyl-2-(methylaminomethyl)quinolin-4-amine
CID 82242744
2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine
CID 82243092
8-methoxy-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine
CID 82244171
7,8-dichloro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine
CID 82249628
8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine
CID 172840400
2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine
CID 84673149
N,N-dimethyl-2-(methylaminomethyl)-6-(trifluoromethoxy)quinolin-4-amine
CID 82252178
N-cyclopropyl-N-methyl-2-(methylaminomethyl)quinolin-4-amine
CID 55183416
N,N-dimethyl-6-(methylaminomethyl)pyridin-2-amine
CID 62280515
3-(methylaminomethyl)-N,N-dipropylisoquinolin-1-amine
CID 62284936
N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 55054429
(8-fluoro-4-methylquinazolin-2-yl)methanamine
CID 84771826

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine?
The IUPAC name of 8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine (CID 82243094) is 8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine.
What is the SMILES notation for 8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine?
The canonical SMILES for 8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine is CNCc1cc(N(C)C)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine?
The InChIKey is LNVKFVDETGQFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-15-8-9-7-12(17(2)3)10-5-4-6-11(14)13(10)16-9/h4-7,15H,8H2,1-3H3.
What are the key properties of 8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine?
8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine has a molecular weight of 233.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine is sourced from PubChem (CID 82243094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).