(1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine

C13H12ClFN2O — CID 114056675

IUPAC(1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine
SMILESC[C@@H](N)c1cccnc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-8(16)10-3-2-6-17-13(10)18-12-5-4-9(15)7-11(12)14/h2-8H,16H2,1H3/t8-/m1/s1
InChIKeyRWOVHKVCXHHIPG-MRVPVSSYSA-N
MW266.70 g/mol
LogP3.69
Rot. Bonds3

About (1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine

(1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine (PubChem CID 114056675) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is (1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine
PubChem CID114056675
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name(1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine
SMILESC[C@@H](N)c1cccnc1Oc1ccc(F)cc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-8(16)10-3-2-6-17-13(10)18-12-5-4-9(15)7-11(12)14/h2-8H,16H2,1H3/t8-/m1/s1
InChIKeyRWOVHKVCXHHIPG-MRVPVSSYSA-N
XLogP3.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]ethanamine
CID 114056638
(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 114056631
(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056639
(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine
CID 78938414
(1R)-1-[2-(4-bromo-2-chlorophenoxy)-3-pyridinyl]ethanol
CID 114056463
1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056793
(1R)-1-[2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78941796
1-(5-fluoro-2-quinolin-8-yloxyphenyl)ethanamine
CID 43212382
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
6-(2-chloro-4-fluorophenoxy)quinolin-5-amine
CID 60970898
[6-(2-chloro-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80917339
2-(2-chloro-4-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68596688

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine (CID 114056675) is (1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine is C[C@@H](N)c1cccnc1Oc1ccc(F)cc1Cl.
What is the InChIKey of (1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine?
The InChIKey is RWOVHKVCXHHIPG-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8(16)10-3-2-6-17-13(10)18-12-5-4-9(15)7-11(12)14/h2-8H,16H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine?
(1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine has a molecular weight of 266.70 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114056675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).