2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline

C17H20FNO — CID 43787964

IUPAC2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline
SMILESCCOc1cc(F)ccc1NC(C)c1cccc(C)c1
InChIInChI=1S/C17H20FNO/c1-4-20-17-11-15(18)8-9-16(17)19-13(3)14-7-5-6-12(2)10-14/h5-11,13,19H,4H2,1-3H3
InChIKeyDAFASXTYCPOKDQ-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.71
Rot. Bonds5

About 2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline

2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline (PubChem CID 43787964) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline
PubChem CID43787964
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline
SMILESCCOc1cc(F)ccc1NC(C)c1cccc(C)c1
InChIInChI=1S/C17H20FNO/c1-4-20-17-11-15(18)8-9-16(17)19-13(3)14-7-5-6-12(2)10-14/h5-11,13,19H,4H2,1-3H3
InChIKeyDAFASXTYCPOKDQ-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730085
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738
N-[1-(2,6-difluorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730076
4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol
CID 43730123
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107710696
2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline
CID 114871410
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
CID 63064811
2-ethoxy-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63992858
2-ethoxy-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 63452945
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221526
methyl 4-fluoro-2-[1-(3-methylphenyl)ethylamino]benzoate
CID 43789020
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline (CID 43787964) is 2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline is CCOc1cc(F)ccc1NC(C)c1cccc(C)c1.
What is the InChIKey of 2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline?
The InChIKey is DAFASXTYCPOKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-20-17-11-15(18)8-9-16(17)19-13(3)14-7-5-6-12(2)10-14/h5-11,13,19H,4H2,1-3H3.
What are the key properties of 2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline?
2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline has a molecular weight of 273.35 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-N-[1-(3-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43787964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).