1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine

C15H14F3NO — CID 63802818

IUPAC1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-9(19)6-10-7-11(16)2-5-15(10)20-12-3-4-13(17)14(18)8-12/h2-5,7-9H,6,19H2,1H3
InChIKeyMTHXNJOWZCGWPT-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.79
Rot. Bonds4

About 1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine

1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine (PubChem CID 63802818) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
PubChem CID63802818
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)ccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-9(19)6-10-7-11(16)2-5-15(10)20-12-3-4-13(17)14(18)8-12/h2-5,7-9H,6,19H2,1H3
InChIKeyMTHXNJOWZCGWPT-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
CID 107726942
3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 63801822
1-[2-(3-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114863443
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
CID 82727101
1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
CID 114863411
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 65202987
1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63804291
1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114862732
1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine
CID 116804168

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine (CID 63802818) is 1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine is CC(N)Cc1cc(F)ccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine?
The InChIKey is MTHXNJOWZCGWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9(19)6-10-7-11(16)2-5-15(10)20-12-3-4-13(17)14(18)8-12/h2-5,7-9H,6,19H2,1H3.
What are the key properties of 1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine?
1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine has a molecular weight of 281.28 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 63802818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).