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

C16H19FN2O — CID 102982283

IUPACN-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(Oc2cc(F)ccc2C)cn1
InChIInChI=1S/C16H19FN2O/c1-4-18-12(3)15-8-7-14(10-19-15)20-16-9-13(17)6-5-11(16)2/h5-10,12,18H,4H2,1-3H3
InChIKeyVDDUWVNLWWUZSC-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.99
Rot. Bonds5

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

N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine (PubChem CID 102982283) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine
PubChem CID102982283
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine
SMILESCCNC(C)c1ccc(Oc2cc(F)ccc2C)cn1
InChIInChI=1S/C16H19FN2O/c1-4-18-12(3)15-8-7-14(10-19-15)20-16-9-13(17)6-5-11(16)2/h5-10,12,18H,4H2,1-3H3
InChIKeyVDDUWVNLWWUZSC-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

N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 107169528
N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83128001
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83126946
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982237
1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83124110
N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83111971
1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 107658714
N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83111227
N-ethyl-1-[5-(2-methylphenoxy)-2-pyridinyl]propan-1-amine
CID 115939959
1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83128091
N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83111420
1-[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982259

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine (CID 102982283) is N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine is CCNC(C)c1ccc(Oc2cc(F)ccc2C)cn1.
What is the InChIKey of N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine?
The InChIKey is VDDUWVNLWWUZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-4-18-12(3)15-8-7-14(10-19-15)20-16-9-13(17)6-5-11(16)2/h5-10,12,18H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine?
N-ethyl-1-[5-(5-fluoro-2-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-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 102982283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).