N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline

C16H17ClFNO — CID 43730085

IUPACN-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NC(C)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-3-20-16-10-14(18)7-8-15(16)19-11(2)12-5-4-6-13(17)9-12/h4-11,19H,3H2,1-2H3
InChIKeyWYGGXOPVIDPOJS-UHFFFAOYSA-N
MW293.77 g/mol
LogP5.05
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline

N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline (PubChem CID 43730085) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
PubChem CID43730085
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NC(C)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-3-20-16-10-14(18)7-8-15(16)19-11(2)12-5-4-6-13(17)9-12/h4-11,19H,3H2,1-2H3
InChIKeyWYGGXOPVIDPOJS-UHFFFAOYSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.77
LogP ≤ 55.05
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]-4-fluoro-2-methoxyaniline
CID 61221526
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-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
CID 63064811
(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81361944
5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
CID 63453286
5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 60935228
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221357

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline (CID 43730085) is N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline is CCOc1cc(F)ccc1NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline?
The InChIKey is WYGGXOPVIDPOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-20-16-10-14(18)7-8-15(16)19-11(2)12-5-4-6-13(17)9-12/h4-11,19H,3H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline?
N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline has a molecular weight of 293.77 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline is sourced from PubChem (CID 43730085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).