6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine

C17H14ClFN2 — CID 43672450

IUPAC6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine
SMILESCC(Nc1cc(Cl)cc2cccnc12)c1ccccc1F
InChIInChI=1S/C17H14ClFN2/c1-11(14-6-2-3-7-15(14)19)21-16-10-13(18)9-12-5-4-8-20-17(12)16/h2-11,21H,1H3
InChIKeyYYZTYBDESABFAM-UHFFFAOYSA-N
MW300.76 g/mol
LogP5.20
Rot. Bonds3

About 6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine

6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine (PubChem CID 43672450) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine
PubChem CID43672450
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine
SMILESCC(Nc1cc(Cl)cc2cccnc12)c1ccccc1F
InChIInChI=1S/C17H14ClFN2/c1-11(14-6-2-3-7-15(14)19)21-16-10-13(18)9-12-5-4-8-20-17(12)16/h2-11,21H,1H3
InChIKeyYYZTYBDESABFAM-UHFFFAOYSA-N
XLogP5.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.76
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine
CID 104652287
6-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-8-amine
CID 43778931
N-[1-(2,4-difluorophenyl)ethyl]quinolin-8-amine
CID 43191671
6-chloro-N-(1-ethoxypropan-2-yl)quinolin-8-amine
CID 115928687
N-(6-chloroquinolin-8-yl)-2-fluorobenzamide
CID 39975947
2-[(6-chloroquinolin-8-yl)amino]butanoic acid
CID 113292361
N-[1-(2-fluorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721902
2,4,5-trichloro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43108233
(6-chloroquinolin-8-yl)hydrazine
CID 138505780
4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63512040
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 79838916

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine?
The IUPAC name of 6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine (CID 43672450) is 6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine.
What is the SMILES notation for 6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine?
The canonical SMILES for 6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine is CC(Nc1cc(Cl)cc2cccnc12)c1ccccc1F.
What is the InChIKey of 6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine?
The InChIKey is YYZTYBDESABFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-11(14-6-2-3-7-15(14)19)21-16-10-13(18)9-12-5-4-8-20-17(12)16/h2-11,21H,1H3.
What are the key properties of 6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine?
6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine has a molecular weight of 300.76 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-fluorophenyl)ethyl]quinolin-8-amine is sourced from PubChem (CID 43672450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).