(1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine

C13H12ClFN2O — CID 174273133

IUPAC(1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(Oc2ccc(Cl)cc2F)nc1
InChIInChI=1S/C13H12ClFN2O/c1-8(16)9-2-5-13(17-7-9)18-12-4-3-10(14)6-11(12)15/h2-8H,16H2,1H3/t8-/m0/s1
InChIKeyGJQPIKCGVFXDST-QMMMGPOBSA-N
MW266.70 g/mol
LogP3.69
Rot. Bonds3

About (1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine

(1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine (PubChem CID 174273133) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is (1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine
PubChem CID174273133
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name(1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(Oc2ccc(Cl)cc2F)nc1
InChIInChI=1S/C13H12ClFN2O/c1-8(16)9-2-5-13(17-7-9)18-12-4-3-10(14)6-11(12)15/h2-8H,16H2,1H3/t8-/m0/s1
InChIKeyGJQPIKCGVFXDST-QMMMGPOBSA-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

(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 55183896
1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 43106357
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640339
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638
3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile
CID 107665502
(1R)-1-[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]ethanamine
CID 106597516
1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80639510
1-(4-chloro-2-fluorophenoxy)propan-2-amine
CID 83396709
5-chloro-2-(2,4-dichlorophenoxy)pyridine
CID 66232986
5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide
CID 114267919
(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 104892667
2-(4-chloro-2-fluorophenoxy)-5-(methylsulfanyloxymethyl)pyrazine
CID 146526939

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine (CID 174273133) is (1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine is C[C@H](N)c1ccc(Oc2ccc(Cl)cc2F)nc1.
What is the InChIKey of (1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine?
The InChIKey is GJQPIKCGVFXDST-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8(16)9-2-5-13(17-7-9)18-12-4-3-10(14)6-11(12)15/h2-8H,16H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine?
(1S)-1-[6-(4-chloro-2-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 (1S)-1-[6-(4-chloro-2-fluorophenoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 174273133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).