2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline

C16H18FNO — CID 43191738

IUPAC2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
SMILESCCOc1ccccc1NC(C)c1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-3-19-16-10-5-4-9-15(16)18-12(2)13-7-6-8-14(17)11-13/h4-12,18H,3H2,1-2H3
InChIKeyGWULVEZUGHARDR-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.40
Rot. Bonds5

About 2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline

2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline (PubChem CID 43191738) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
PubChem CID43191738
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
SMILESCCOc1ccccc1NC(C)c1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-3-19-16-10-5-4-9-15(16)18-12(2)13-7-6-8-14(17)11-13/h4-12,18H,3H2,1-2H3
InChIKeyGWULVEZUGHARDR-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43787964
N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730085
2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43750446
N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730076
5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
CID 63453286
4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol
CID 43730123
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107710696
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43682980
N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline
CID 43682326
N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
CID 43682271
[(2-ethoxyphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105192906
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline?
The IUPAC name of 2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline (CID 43191738) is 2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline?
The canonical SMILES for 2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline is CCOc1ccccc1NC(C)c1cccc(F)c1.
What is the InChIKey of 2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline?
The InChIKey is GWULVEZUGHARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-19-16-10-5-4-9-15(16)18-12(2)13-7-6-8-14(17)11-13/h4-12,18H,3H2,1-2H3.
What are the key properties of 2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline?
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline has a molecular weight of 259.32 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43191738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).