2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine

C16H18F2N2O — CID 105026123

IUPAC2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1cncc(OC)c1
InChIInChI=1S/C16H18F2N2O/c1-3-20-15(12-7-13(21-2)10-19-9-12)8-11-5-4-6-14(17)16(11)18/h4-7,9-10,15,20H,3,8H2,1-2H3
InChIKeyZFGDVTSHJZGQNS-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.26
Rot. Bonds6

About 2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine

2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine (PubChem CID 105026123) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
PubChem CID105026123
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1cncc(OC)c1
InChIInChI=1S/C16H18F2N2O/c1-3-20-15(12-7-13(21-2)10-19-9-12)8-11-5-4-6-14(17)16(11)18/h4-7,9-10,15,20H,3,8H2,1-2H3
InChIKeyZFGDVTSHJZGQNS-UHFFFAOYSA-N
XLogP3.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
CID 82790001
2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 115805148
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
2-(2,3-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62606417
[2-(2,6-difluorophenyl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105329677
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
N-[(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105025866
N-[(2,6-difluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025947
N-[(2-bromo-3,4-difluorophenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 107539197
N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105175253
[2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
CID 105264388
1-(2-bromo-6-fluorophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 114559964

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine (CID 105026123) is 2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine is CCNC(Cc1cccc(F)c1F)c1cncc(OC)c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine?
The InChIKey is ZFGDVTSHJZGQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-3-20-15(12-7-13(21-2)10-19-9-12)8-11-5-4-6-14(17)16(11)18/h4-7,9-10,15,20H,3,8H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine?
2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine has a molecular weight of 292.33 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 105026123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).