1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine

C15H16ClFN2O — CID 83124110

IUPAC1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C15H16ClFN2O/c1-3-18-10(2)15-7-5-12(9-19-15)20-11-4-6-14(17)13(16)8-11/h4-10,18H,3H2,1-2H3
InChIKeyCMZXWUCXBOAGEO-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.34
Rot. Bonds5

About 1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine

1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine (PubChem CID 83124110) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine
PubChem CID83124110
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C15H16ClFN2O/c1-3-18-10(2)15-7-5-12(9-19-15)20-11-4-6-14(17)13(16)8-11/h4-10,18H,3H2,1-2H3
InChIKeyCMZXWUCXBOAGEO-UHFFFAOYSA-N
XLogP4.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 107169528
N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83111971
N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83128001
1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83128091
1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 107658714
3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline
CID 83111619
N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine
CID 102982283
(1S)-1-[5-(4-chloro-3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103938051
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83126946
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83111420
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine?
The IUPAC name of 1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine (CID 83124110) is 1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine is CCNC(C)c1ccc(Oc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine?
The InChIKey is CMZXWUCXBOAGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-3-18-10(2)15-7-5-12(9-19-15)20-11-4-6-14(17)13(16)8-11/h4-10,18H,3H2,1-2H3.
What are the key properties of 1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine?
1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine has a molecular weight of 294.76 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine is sourced from PubChem (CID 83124110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).