N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine

C16H19FN2O — CID 104793780

IUPACN-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine
SMILESCCNC(Cc1cccc(OC)c1F)c1ccccn1
InChIInChI=1S/C16H19FN2O/c1-3-18-14(13-8-4-5-10-19-13)11-12-7-6-9-15(20-2)16(12)17/h4-10,14,18H,3,11H2,1-2H3
InChIKeyJCUWIRYIJBODAP-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.12
Rot. Bonds6

About N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine

N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine (PubChem CID 104793780) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine
PubChem CID104793780
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine
SMILESCCNC(Cc1cccc(OC)c1F)c1ccccn1
InChIInChI=1S/C16H19FN2O/c1-3-18-14(13-8-4-5-10-19-13)11-12-7-6-9-15(20-2)16(12)17/h4-10,14,18H,3,11H2,1-2H3
InChIKeyJCUWIRYIJBODAP-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 104793956
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794282
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
CID 104793932
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 104794217
N-ethyl-2-(3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 62600523
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
CID 114855242
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine
CID 104793912
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
2-(2,6-dichlorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
CID 62602818
1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 104794131
N-[(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethyl]ethanamine
CID 82770974
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-amine
CID 104793900

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine?
The IUPAC name of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine (CID 104793780) is N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine?
The canonical SMILES for N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine is CCNC(Cc1cccc(OC)c1F)c1ccccn1.
What is the InChIKey of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine?
The InChIKey is JCUWIRYIJBODAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-18-14(13-8-4-5-10-19-13)11-12-7-6-9-15(20-2)16(12)17/h4-10,14,18H,3,11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine?
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine has a molecular weight of 274.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 104793780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).