N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine

C16H19FN2O — CID 81304832

IUPACN-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine
SMILESCCNC(Cc1ccccn1)c1ccc(OC)cc1F
InChIInChI=1S/C16H19FN2O/c1-3-18-16(10-12-6-4-5-9-19-12)14-8-7-13(20-2)11-15(14)17/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeyDSYVHBIVYZWUSW-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.12
Rot. Bonds6

About N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine

N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine (PubChem CID 81304832) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine
PubChem CID81304832
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine
SMILESCCNC(Cc1ccccn1)c1ccc(OC)cc1F
InChIInChI=1S/C16H19FN2O/c1-3-18-16(10-12-6-4-5-9-19-12)14-8-7-13(20-2)11-15(14)17/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeyDSYVHBIVYZWUSW-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-1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 81304833
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81301344
N-[(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 103395517
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylethanamine
CID 63988196
4-[2-(ethylamino)-2-(2-fluoro-4-methoxyphenyl)ethyl]phenol
CID 81301341
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 82922285
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine
CID 103395819
N-ethyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60819742
N-ethyl-1-(2-fluoro-4-methoxyphenyl)but-3-yn-1-amine
CID 81304172
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
1-(2,4-difluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 43491085
N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine
CID 103396650

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine?
The IUPAC name of N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine (CID 81304832) is N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine?
The canonical SMILES for N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine is CCNC(Cc1ccccn1)c1ccc(OC)cc1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine?
The InChIKey is DSYVHBIVYZWUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-18-16(10-12-6-4-5-9-19-12)14-8-7-13(20-2)11-15(14)17/h4-9,11,16,18H,3,10H2,1-2H3.
What are the key properties of N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine?
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-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-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 81304832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).