3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline

C14H12Cl2FN — CID 43081131

IUPAC3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C14H12Cl2FN/c1-9(10-2-4-13(17)5-3-10)18-14-7-11(15)6-12(16)8-14/h2-9,18H,1H3
InChIKeyAEXCOHCLQFGOAE-UHFFFAOYSA-N
MW284.16 g/mol
LogP5.31
Rot. Bonds3

About 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline

3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline (PubChem CID 43081131) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
PubChem CID43081131
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C14H12Cl2FN/c1-9(10-2-4-13(17)5-3-10)18-14-7-11(15)6-12(16)8-14/h2-9,18H,1H3
InChIKeyAEXCOHCLQFGOAE-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.16
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541
3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline
CID 107364137
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107363878
3-chloro-5-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 107363886
3,5-dichloro-N-[(1S)-1-pyridin-4-ylethyl]aniline
CID 40545562
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871
N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide
CID 43906812
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 107582345
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline?
The IUPAC name of 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline (CID 43081131) is 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline is CC(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline?
The InChIKey is AEXCOHCLQFGOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c1-9(10-2-4-13(17)5-3-10)18-14-7-11(15)6-12(16)8-14/h2-9,18H,1H3.
What are the key properties of 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline?
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline has a molecular weight of 284.16 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43081131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).