2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine

C15H13ClF3NO — CID 103053140

IUPAC2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13ClF3NO/c16-11-3-6-13(17)10(7-11)8-14(20)9-1-4-12(5-2-9)21-15(18)19/h1-7,14-15H,8,20H2
InChIKeyXZYPLYHBJKNPOZ-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.32
Rot. Bonds5

About 2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine

2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine (PubChem CID 103053140) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine
PubChem CID103053140
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13ClF3NO/c16-11-3-6-13(17)10(7-11)8-14(20)9-1-4-12(5-2-9)21-15(18)19/h1-7,14-15H,8,20H2
InChIKeyXZYPLYHBJKNPOZ-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 103052955
2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 115840311
(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 4961731
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216603
1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine
CID 61077993
1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 63893268
2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 103053453
(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171206167
2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine
CID 103048688
2-(2,4-dichlorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65146137

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine (CID 103053140) is 2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine is NC(Cc1cc(Cl)ccc1F)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is XZYPLYHBJKNPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-11-3-6-13(17)10(7-11)8-14(20)9-1-4-12(5-2-9)21-15(18)19/h1-7,14-15H,8,20H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine?
2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine has a molecular weight of 315.72 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 103053140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).