2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline

C14H11Cl2F2N — CID 65468567

IUPAC2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
SMILESCC(Nc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11Cl2F2N/c1-8(9-5-6-12(17)13(18)7-9)19-14-10(15)3-2-4-11(14)16/h2-8,19H,1H3
InChIKeyFEYMAKNAWYXTHJ-UHFFFAOYSA-N
MW302.15 g/mol
LogP5.44
Rot. Bonds3

About 2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline

2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline (PubChem CID 65468567) has the molecular formula C14H11Cl2F2N and a molecular weight of 302.15 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
PubChem CID65468567
Molecular FormulaC14H11Cl2F2N
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
SMILESCC(Nc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11Cl2F2N/c1-8(9-5-6-12(17)13(18)7-9)19-14-10(15)3-2-4-11(14)16/h2-8,19H,1H3
InChIKeyFEYMAKNAWYXTHJ-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.15
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 103477852
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 83069531
2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline
CID 65467192
N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376760
2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 43080283
2,4,6-trichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43126432
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
CID 83069311
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643726
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-fluoroaniline
CID 43122894
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
CID 83076232
4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline
CID 63448815

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline?
The IUPAC name of 2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline (CID 65468567) is 2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline is CC(Nc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of 2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline?
The InChIKey is FEYMAKNAWYXTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N/c1-8(9-5-6-12(17)13(18)7-9)19-14-10(15)3-2-4-11(14)16/h2-8,19H,1H3.
What are the key properties of 2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline?
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline has a molecular weight of 302.15 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline is sourced from PubChem (CID 65468567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).