1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine

C15H14F3NO — CID 62785959

IUPAC1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(Oc1cc(F)cc(F)c1)c1ccccc1F
InChIInChI=1S/C15H14F3NO/c1-9(19)15(13-4-2-3-5-14(13)18)20-12-7-10(16)6-11(17)8-12/h2-9,15H,19H2,1H3
InChIKeyAYGGIVCYTPLKBU-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.57
Rot. Bonds4

About 1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine

1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine (PubChem CID 62785959) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
PubChem CID62785959
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(Oc1cc(F)cc(F)c1)c1ccccc1F
InChIInChI=1S/C15H14F3NO/c1-9(19)15(13-4-2-3-5-14(13)18)20-12-7-10(16)6-11(17)8-12/h2-9,15H,19H2,1H3
InChIKeyAYGGIVCYTPLKBU-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 82716782
1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62337853
1-(2-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55023034
1-(2-chlorophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55022859
1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 83232003
1-(2-fluorophenyl)-1-trimethylsilyloxypropan-2-amine
CID 112548408
1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine
CID 55022666
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-(3,5-dichlorophenoxy)-1-(2-methylphenyl)propan-2-amine
CID 63461961
1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine
CID 114208275
1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine
CID 81332247
1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018505

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine (CID 62785959) is 1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine is CC(N)C(Oc1cc(F)cc(F)c1)c1ccccc1F.
What is the InChIKey of 1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is AYGGIVCYTPLKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9(19)15(13-4-2-3-5-14(13)18)20-12-7-10(16)6-11(17)8-12/h2-9,15H,19H2,1H3.
What are the key properties of 1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine?
1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 281.28 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62785959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).