N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine

C17H19F2NO — CID 62607725

IUPACN-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H19F2NO/c1-3-20-16(13-5-4-6-14(18)11-13)10-12-7-8-17(21-2)15(19)9-12/h4-9,11,16,20H,3,10H2,1-2H3
InChIKeyLFVYJJNWUQFYES-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.87
Rot. Bonds6

About N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine

N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine (PubChem CID 62607725) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine
PubChem CID62607725
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H19F2NO/c1-3-20-16(13-5-4-6-14(18)11-13)10-12-7-8-17(21-2)15(19)9-12/h4-9,11,16,20H,3,10H2,1-2H3
InChIKeyLFVYJJNWUQFYES-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-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine
CID 115829862
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105122153
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
1-(2-chlorophenyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62604347
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105122565
N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829659
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829741
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine
CID 81284854
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine (CID 62607725) is N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine is CCNC(Cc1ccc(OC)c(F)c1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is LFVYJJNWUQFYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-20-16(13-5-4-6-14(18)11-13)10-12-7-8-17(21-2)15(19)9-12/h4-9,11,16,20H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine?
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-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-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 62607725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).