2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine

C15H13Cl2F2NO — CID 115840311

IUPAC2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
SMILESNC(Cc1ccc(Cl)cc1Cl)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H13Cl2F2NO/c16-11-5-4-9(13(17)8-11)7-14(20)10-2-1-3-12(6-10)21-15(18)19/h1-6,8,14-15H,7,20H2
InChIKeyAVMSQZTXDUWHIR-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.84
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine

2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine (PubChem CID 115840311) has the molecular formula C15H13Cl2F2NO and a molecular weight of 332.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
PubChem CID115840311
Molecular FormulaC15H13Cl2F2NO
Molecular Weight332.18 g/mol
Exact Mass331.03
IUPAC Name2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
SMILESNC(Cc1ccc(Cl)cc1Cl)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H13Cl2F2NO/c16-11-5-4-9(13(17)8-11)7-14(20)10-2-1-3-12(6-10)21-15(18)19/h1-6,8,14-15H,7,20H2
InChIKeyAVMSQZTXDUWHIR-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051297
3-[1-amino-2-(2,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105132494
2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 65321564
2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine
CID 103053140
2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 103053453
(1R)-1-[3-(difluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171206110
(1S)-1-[3-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171225688
2-(2,4-dichlorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65146137
2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 61079788
2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115839922
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 170874621

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine (CID 115840311) is 2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine is NC(Cc1ccc(Cl)cc1Cl)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is AVMSQZTXDUWHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2NO/c16-11-5-4-9(13(17)8-11)7-14(20)10-2-1-3-12(6-10)21-15(18)19/h1-6,8,14-15H,7,20H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine?
2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine has a molecular weight of 332.18 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 115840311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).