2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline

C14H12Cl2FNO — CID 141222673

IUPAC2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline
SMILESCCOc1cccc(Nc2c(Cl)cc(F)cc2Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-2-19-11-5-3-4-10(8-11)18-14-12(15)6-9(17)7-13(14)16/h3-8,18H,2H2,1H3
InChIKeyZUZPRWMUAARWAG-UHFFFAOYSA-N
MW300.16 g/mol
LogP5.27
Rot. Bonds4

About 2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline

2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline (PubChem CID 141222673) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline
PubChem CID141222673
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline
SMILESCCOc1cccc(Nc2c(Cl)cc(F)cc2Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c1-2-19-11-5-3-4-10(8-11)18-14-12(15)6-9(17)7-13(14)16/h3-8,18H,2H2,1H3
InChIKeyZUZPRWMUAARWAG-UHFFFAOYSA-N
XLogP5.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.16
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 62377477
N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54805983
3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine
CID 140989971
1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine
CID 134589675
2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline
CID 60873888
3-ethoxy-N-propylaniline
CID 54800867
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
2-chloro-6-(3-ethoxyanilino)benzenecarbothioamide
CID 62497351
N-tert-butyl-3-ethoxyaniline
CID 58745523
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 83078344
3-ethoxy-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2823065

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline?
The IUPAC name of 2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline (CID 141222673) is 2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline.
What is the SMILES notation for 2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline?
The canonical SMILES for 2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline is CCOc1cccc(Nc2c(Cl)cc(F)cc2Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline?
The InChIKey is ZUZPRWMUAARWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-2-19-11-5-3-4-10(8-11)18-14-12(15)6-9(17)7-13(14)16/h3-8,18H,2H2,1H3.
What are the key properties of 2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline?
2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline has a molecular weight of 300.16 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline is sourced from PubChem (CID 141222673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).