2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline

C16H16Cl2FNO — CID 83078344

IUPAC2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline
SMILESCCOc1ccc(C(C)Nc2c(Cl)cc(F)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2FNO/c1-3-21-13-6-4-11(5-7-13)10(2)20-16-14(17)8-12(19)9-15(16)18/h4-10,20H,3H2,1-2H3
InChIKeyPZLZJHVIPRIQTF-UHFFFAOYSA-N
MW328.21 g/mol
LogP5.70
Rot. Bonds5

About 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline

2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline (PubChem CID 83078344) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline
PubChem CID83078344
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline
SMILESCCOc1ccc(C(C)Nc2c(Cl)cc(F)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2FNO/c1-3-21-13-6-4-11(5-7-13)10(2)20-16-14(17)8-12(19)9-15(16)18/h4-10,20H,3H2,1-2H3
InChIKeyPZLZJHVIPRIQTF-UHFFFAOYSA-N
XLogP5.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.21
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
CID 107527481
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
CID 104726016
2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline
CID 83076291
2,6-dibromo-N-[1-(4-ethoxyphenyl)ethyl]aniline
CID 107597432
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
CID 83076232
1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719782
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 83078059
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390
4-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]benzonitrile
CID 107610420
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
CID 83069311

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline?
The IUPAC name of 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline (CID 83078344) is 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline.
What is the SMILES notation for 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline?
The canonical SMILES for 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline is CCOc1ccc(C(C)Nc2c(Cl)cc(F)cc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline?
The InChIKey is PZLZJHVIPRIQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-3-21-13-6-4-11(5-7-13)10(2)20-16-14(17)8-12(19)9-15(16)18/h4-10,20H,3H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline?
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline has a molecular weight of 328.21 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 83078344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).