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

C15H14F3NO — CID 61078331

IUPAC1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H14F3NO/c16-11-7-5-10(6-8-11)9-13(19)12-3-1-2-4-14(12)20-15(17)18/h1-8,13,15H,9,19H2
InChIKeyMCDVCTIUDQLRBV-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.67
Rot. Bonds5

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

1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine (PubChem CID 61078331) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine
PubChem CID61078331
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H14F3NO/c16-11-7-5-10(6-8-11)9-13(19)12-3-1-2-4-14(12)20-15(17)18/h1-8,13,15H,9,19H2
InChIKeyMCDVCTIUDQLRBV-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
CID 115794253
2-(4-bromo-2-fluorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 115844681
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
1-(2-fluoro-3-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 82807908
2-(4-iodophenyl)-1-(2-methoxyphenyl)ethanamine
CID 65477894
(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol
CID 171264497
(1R)-1-[2-(difluoromethoxy)phenyl]-3-methylbut-3-en-1-amine;hydrochloride
CID 171211394
2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62790502
1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
CID 16794692
4-amino-4-[2-(difluoromethoxy)phenyl]butanoic acid
CID 117364212
2-(4-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301785

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine (CID 61078331) is 1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine is NC(Cc1ccc(F)cc1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine?
The InChIKey is MCDVCTIUDQLRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-11-7-5-10(6-8-11)9-13(19)12-3-1-2-4-14(12)20-15(17)18/h1-8,13,15H,9,19H2.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine?
1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 61078331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).