2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline

C15H13Cl2F2NO — CID 65468369

IUPAC2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
SMILESCC(Nc1c(Cl)cccc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C15H13Cl2F2NO/c1-9(20-14-11(16)6-4-7-12(14)17)10-5-2-3-8-13(10)21-15(18)19/h2-9,15,20H,1H3
InChIKeyGGUHPYRUCWNAJS-UHFFFAOYSA-N
MW332.18 g/mol
LogP5.77
Rot. Bonds5

About 2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline

2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline (PubChem CID 65468369) has the molecular formula C15H13Cl2F2NO and a molecular weight of 332.18 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
PubChem CID65468369
Molecular FormulaC15H13Cl2F2NO
Molecular Weight332.18 g/mol
Exact Mass331.03
IUPAC Name2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
SMILESCC(Nc1c(Cl)cccc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C15H13Cl2F2NO/c1-9(20-14-11(16)6-4-7-12(14)17)10-5-2-3-8-13(10)21-15(18)19/h2-9,15,20H,1H3
InChIKeyGGUHPYRUCWNAJS-UHFFFAOYSA-N
XLogP5.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.18
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43096601
2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline
CID 43150484
2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline
CID 43733794
5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline
CID 43109609
4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43194545
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine
CID 43539990
2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43126451
1-(1-chloroethyl)-2-(difluoromethoxy)benzene
CID 43114935
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43192576
N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83006799
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline?
The IUPAC name of 2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline (CID 65468369) is 2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline is CC(Nc1c(Cl)cccc1Cl)c1ccccc1OC(F)F.
What is the InChIKey of 2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline?
The InChIKey is GGUHPYRUCWNAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2NO/c1-9(20-14-11(16)6-4-7-12(14)17)10-5-2-3-8-13(10)21-15(18)19/h2-9,15,20H,1H3.
What are the key properties of 2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline?
2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline has a molecular weight of 332.18 g/mol, XLogP of 5.77, 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-[2-(difluoromethoxy)phenyl]ethyl]aniline is sourced from PubChem (CID 65468369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).