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

C15H13BrF3NO — CID 115844681

IUPAC2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
SMILESNC(Cc1ccc(Br)cc1F)c1ccccc1OC(F)F
InChIInChI=1S/C15H13BrF3NO/c16-10-6-5-9(12(17)8-10)7-13(20)11-3-1-2-4-14(11)21-15(18)19/h1-6,8,13,15H,7,20H2
InChIKeyFXNYKKYWPAFKDJ-UHFFFAOYSA-N
MW360.17 g/mol
LogP4.43
Rot. Bonds5

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

2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine (PubChem CID 115844681) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
PubChem CID115844681
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
SMILESNC(Cc1ccc(Br)cc1F)c1ccccc1OC(F)F
InChIInChI=1S/C15H13BrF3NO/c16-10-6-5-9(12(17)8-10)7-13(20)11-3-1-2-4-14(11)21-15(18)19/h1-6,8,13,15H,7,20H2
InChIKeyFXNYKKYWPAFKDJ-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 105137154
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine
CID 61078331
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
2-(4-bromo-2-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065429
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114906223
2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine
CID 105137155
4-bromo-1-[3-bromo-2-(2-fluorophenyl)propyl]-2-fluorobenzene
CID 79454541

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine (CID 115844681) is 2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine is NC(Cc1ccc(Br)cc1F)c1ccccc1OC(F)F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is FXNYKKYWPAFKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO/c16-10-6-5-9(12(17)8-10)7-13(20)11-3-1-2-4-14(11)21-15(18)19/h1-6,8,13,15H,7,20H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine?
2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine has a molecular weight of 360.17 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 115844681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).