2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine

C13H16FN3 — CID 82243092

IUPAC2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine
SMILESCN(C)c1cc(CCN)nc2c(F)cccc12
InChIInChI=1S/C13H16FN3/c1-17(2)12-8-9(6-7-15)16-13-10(12)4-3-5-11(13)14/h3-5,8H,6-7,15H2,1-2H3
InChIKeyZNJMFURARDXRES-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.94
Rot. Bonds3

About 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine

2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine (PubChem CID 82243092) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine
PubChem CID82243092
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine
SMILESCN(C)c1cc(CCN)nc2c(F)cccc12
InChIInChI=1S/C13H16FN3/c1-17(2)12-8-9(6-7-15)16-13-10(12)4-3-5-11(13)14/h3-5,8H,6-7,15H2,1-2H3
InChIKeyZNJMFURARDXRES-UHFFFAOYSA-N
XLogP1.94
TPSA42.15 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine
CID 82243094
8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine
CID 172840400
2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine
CID 84673149
(8-fluoro-4-methylquinazolin-2-yl)methanamine
CID 84771826
N,N,8-trimethyl-2-(methylaminomethyl)quinolin-4-amine
CID 82242744
2-(aminomethyl)-8-fluoroquinoline-4-carboxylic acid
CID 84623455
2-(aminomethyl)-7,8-dichloro-N,N-dimethylquinolin-4-amine
CID 82247413
2-(8-chloro-4-methylquinolin-2-yl)ethanamine
CID 82575547
3-(8-fluoro-4-methylquinolin-2-yl)-2,2-dimethylpropan-1-amine
CID 82577030
8-methoxy-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine
CID 82244171
(4-chloro-8-fluoroquinazolin-2-yl)methanamine
CID 84781950
2-(2-aminoethyl)-6-chloro-8-methoxy-N,N,5-trimethylquinolin-4-amine
CID 82251230

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine (CID 82243092) is 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine is CN(C)c1cc(CCN)nc2c(F)cccc12.
What is the InChIKey of 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine?
The InChIKey is ZNJMFURARDXRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-17(2)12-8-9(6-7-15)16-13-10(12)4-3-5-11(13)14/h3-5,8H,6-7,15H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine?
2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine has a molecular weight of 233.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine is sourced from PubChem (CID 82243092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).