N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine

C17H19F2NO — CID 104793932

IUPACN-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1F)c1ccccc1F
InChIInChI=1S/C17H19F2NO/c1-3-20-15(13-8-4-5-9-14(13)18)11-12-7-6-10-16(21-2)17(12)19/h4-10,15,20H,3,11H2,1-2H3
InChIKeyZRYSHBNOOHCUFZ-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.87
Rot. Bonds6

About N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine

N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine (PubChem CID 104793932) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
PubChem CID104793932
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1F)c1ccccc1F
InChIInChI=1S/C17H19F2NO/c1-3-20-15(13-8-4-5-9-14(13)18)11-12-7-6-10-16(21-2)17(12)19/h4-10,15,20H,3,11H2,1-2H3
InChIKeyZRYSHBNOOHCUFZ-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 104793780
2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 62196391
1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61066488
1-[3-chloro-2-(2-fluorophenyl)propyl]-2-fluoro-3-methoxybenzene
CID 104795544
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 104793956
N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 82807914
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 104794217
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794282
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine
CID 104793912
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine (CID 104793932) is N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine is CCNC(Cc1cccc(OC)c1F)c1ccccc1F.
What is the InChIKey of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine?
The InChIKey is ZRYSHBNOOHCUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-20-15(13-8-4-5-9-14(13)18)11-12-7-6-10-16(21-2)17(12)19/h4-10,15,20H,3,11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine?
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 104793932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).