2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline

C15H13Cl2F2NO — CID 43096601

IUPAC2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
SMILESCC(Nc1cc(Cl)ccc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C15H13Cl2F2NO/c1-9(20-13-8-10(16)6-7-12(13)17)11-4-2-3-5-14(11)21-15(18)19/h2-9,15,20H,1H3
InChIKeyHSVGIDXKFNPCCT-UHFFFAOYSA-N
MW332.18 g/mol
LogP5.77
Rot. Bonds5

About 2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline

2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline (PubChem CID 43096601) has the molecular formula C15H13Cl2F2NO and a molecular weight of 332.18 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
PubChem CID43096601
Molecular FormulaC15H13Cl2F2NO
Molecular Weight332.18 g/mol
Exact Mass331.03
IUPAC Name2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
SMILESCC(Nc1cc(Cl)ccc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C15H13Cl2F2NO/c1-9(20-13-8-10(16)6-7-12(13)17)11-4-2-3-5-14(11)21-15(18)19/h2-9,15,20H,1H3
InChIKeyHSVGIDXKFNPCCT-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

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Related Compounds

5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline
CID 43109609
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869
2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline
CID 43150484
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43192576
2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline
CID 43733794
2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 65468369
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
(2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43344658
2,5-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43102294
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43194545
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline?
The IUPAC name of 2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline (CID 43096601) is 2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline is CC(Nc1cc(Cl)ccc1Cl)c1ccccc1OC(F)F.
What is the InChIKey of 2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline?
The InChIKey is HSVGIDXKFNPCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2NO/c1-9(20-13-8-10(16)6-7-12(13)17)11-4-2-3-5-14(11)21-15(18)19/h2-9,15,20H,1H3.
What are the key properties of 2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline?
2,5-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 2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline is sourced from PubChem (CID 43096601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).