N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine

C16H19FN2O — CID 115939974

IUPACN-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(Oc2cccc(F)c2)cn1
InChIInChI=1S/C16H19FN2O/c1-3-15(18-4-2)16-9-8-14(11-19-16)20-13-7-5-6-12(17)10-13/h5-11,15,18H,3-4H2,1-2H3
InChIKeyHXRDLNUGEUPEIY-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.07
Rot. Bonds6

About N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine

N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine (PubChem CID 115939974) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine
PubChem CID115939974
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(Oc2cccc(F)c2)cn1
InChIInChI=1S/C16H19FN2O/c1-3-15(18-4-2)16-9-8-14(11-19-16)20-13-7-5-6-12(17)10-13/h5-11,15,18H,3-4H2,1-2H3
InChIKeyHXRDLNUGEUPEIY-UHFFFAOYSA-N
XLogP4.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 115940101
N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
CID 115940125
1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
CID 114673855
N-ethyl-1-[5-(2-methylphenoxy)-2-pyridinyl]propan-1-amine
CID 115939959
1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 115939962
N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine
CID 115940028
1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83128091
1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940035
3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline
CID 83111619
N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 107169528
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine
CID 115939916
1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83124110

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine (CID 115939974) is N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine is CCNC(CC)c1ccc(Oc2cccc(F)c2)cn1.
What is the InChIKey of N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is HXRDLNUGEUPEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-15(18-4-2)16-9-8-14(11-19-16)20-13-7-5-6-12(17)10-13/h5-11,15,18H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine?
N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 274.34 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 115939974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).