N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine

C16H19FN2O — CID 107169528

IUPACN-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(Oc2ccc(C)c(F)c2)cn1
InChIInChI=1S/C16H19FN2O/c1-4-18-12(3)16-8-7-14(10-19-16)20-13-6-5-11(2)15(17)9-13/h5-10,12,18H,4H2,1-3H3
InChIKeyIYGSSMJDBJQWGD-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.99
Rot. Bonds5

About N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine

N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine (PubChem CID 107169528) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine
PubChem CID107169528
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(Oc2ccc(C)c(F)c2)cn1
InChIInChI=1S/C16H19FN2O/c1-4-18-12(3)16-8-7-14(10-19-16)20-13-6-5-11(2)15(17)9-13/h5-10,12,18H,4H2,1-3H3
InChIKeyIYGSSMJDBJQWGD-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83124110
N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine
CID 102982283
N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83128001
N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83111971
1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83128091
3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline
CID 83111619
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328
N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168983
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83126946
(1R)-1-[5-(4-fluoro-3-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 103939285
1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 107658714
N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 115939974

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine (CID 107169528) is N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine is CCNC(C)c1ccc(Oc2ccc(C)c(F)c2)cn1.
What is the InChIKey of N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine?
The InChIKey is IYGSSMJDBJQWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-4-18-12(3)16-8-7-14(10-19-16)20-13-6-5-11(2)15(17)9-13/h5-10,12,18H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine?
N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine has a molecular weight of 274.34 g/mol, XLogP of 3.99, 5 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-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 107169528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).