2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline

C16H16Cl2FN — CID 83076291

IUPAC2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline
SMILESCc1ccc(C(C)Nc2c(Cl)cc(F)cc2Cl)cc1C
InChIInChI=1S/C16H16Cl2FN/c1-9-4-5-12(6-10(9)2)11(3)20-16-14(17)7-13(19)8-15(16)18/h4-8,11,20H,1-3H3
InChIKeyYVMMPZWUXMFALF-UHFFFAOYSA-N
MW312.22 g/mol
LogP5.92
Rot. Bonds3

About 2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline

2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline (PubChem CID 83076291) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline
PubChem CID83076291
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline
SMILESCc1ccc(C(C)Nc2c(Cl)cc(F)cc2Cl)cc1C
InChIInChI=1S/C16H16Cl2FN/c1-9-4-5-12(6-10(9)2)11(3)20-16-14(17)7-13(19)8-15(16)18/h4-8,11,20H,1-3H3
InChIKeyYVMMPZWUXMFALF-UHFFFAOYSA-N
XLogP5.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.22
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
CID 83076232
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82815461
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 83078344
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
CID 83069311
2,6-dichloro-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 83077042
4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol
CID 83073198
2,4,6-trichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43126432
N-[1-(3,4-dimethylphenyl)ethyl]-2,5-difluoro-4-methylaniline
CID 103585111
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
2-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-iodoaniline
CID 43733695
2-bromo-6-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]-4-fluoroaniline
CID 107610538

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline?
The IUPAC name of 2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline (CID 83076291) is 2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline.
What is the SMILES notation for 2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline?
The canonical SMILES for 2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline is Cc1ccc(C(C)Nc2c(Cl)cc(F)cc2Cl)cc1C.
What is the InChIKey of 2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline?
The InChIKey is YVMMPZWUXMFALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-9-4-5-12(6-10(9)2)11(3)20-16-14(17)7-13(19)8-15(16)18/h4-8,11,20H,1-3H3.
What are the key properties of 2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline?
2,6-dichloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-fluoroaniline has a molecular weight of 312.22 g/mol, XLogP of 5.92, 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-dimethylphenyl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 83076291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).