(1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine

C11H10ClFN2 — CID 154404062

IUPAC(1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine
SMILESC[C@H](N)c1cnc2c(F)cc(Cl)cc2c1
InChIInChI=1S/C11H10ClFN2/c1-6(14)8-2-7-3-9(12)4-10(13)11(7)15-5-8/h2-6H,14H2,1H3/t6-/m0/s1
InChIKeyFESNPTZKWNGPNK-LURJTMIESA-N
MW224.67 g/mol
LogP3.05
Rot. Bonds1

About (1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine

(1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine (PubChem CID 154404062) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is (1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine
PubChem CID154404062
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name(1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine
SMILESC[C@H](N)c1cnc2c(F)cc(Cl)cc2c1
InChIInChI=1S/C11H10ClFN2/c1-6(14)8-2-7-3-9(12)4-10(13)11(7)15-5-8/h2-6H,14H2,1H3/t6-/m0/s1
InChIKeyFESNPTZKWNGPNK-LURJTMIESA-N
XLogP3.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)ethanamine
CID 90451790
(3-chloro-8-fluoroquinolin-6-yl)-methoxymethanol
CID 139341108
6-chloro-8-fluoroquinazoline
CID 156761825
2,6-dichloro-8-fluoro-3-propan-2-ylquinoline
CID 63531051
(1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine
CID 174273133
5-(1-aminoethyl)-2-fluoropyridin-3-amine
CID 55293983
5-[(1R)-1-aminoethyl]-2-fluoropyridin-3-amine
CID 55263086
7,8-difluoro-3-propan-2-ylquinoline
CID 168882990
(1S)-1-furo[2,3-b]pyridin-5-ylethanamine
CID 122237100
3,7-dichloro-5-fluoroisoquinoline
CID 142492499
(1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol
CID 178090057
(1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine
CID 165403100

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine?
The IUPAC name of (1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine (CID 154404062) is (1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine is C[C@H](N)c1cnc2c(F)cc(Cl)cc2c1.
What is the InChIKey of (1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine?
The InChIKey is FESNPTZKWNGPNK-LURJTMIESA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-6(14)8-2-7-3-9(12)4-10(13)11(7)15-5-8/h2-6H,14H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine?
(1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine has a molecular weight of 224.67 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine is sourced from PubChem (CID 154404062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).