1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine

C15H14ClF2NO — CID 82716782

IUPAC1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(Oc1ccc(Cl)c(F)c1)c1ccccc1F
InChIInChI=1S/C15H14ClF2NO/c1-9(19)15(11-4-2-3-5-13(11)17)20-10-6-7-12(16)14(18)8-10/h2-9,15H,19H2,1H3
InChIKeyKYZFTUBONHITRQ-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.09
Rot. Bonds4

About 1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine

1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine (PubChem CID 82716782) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
PubChem CID82716782
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(Oc1ccc(Cl)c(F)c1)c1ccccc1F
InChIInChI=1S/C15H14ClF2NO/c1-9(19)15(11-4-2-3-5-13(11)17)20-10-6-7-12(16)14(18)8-10/h2-9,15H,19H2,1H3
InChIKeyKYZFTUBONHITRQ-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62785959
1-(3-ethoxyphenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62337853
1-(4-bromophenyl)-1-(4-chloro-3-fluorophenoxy)propan-2-amine
CID 82716945
1-(2-chlorophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55022859
1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine
CID 55022666
1-(4-chloro-3-fluorophenoxy)-1-thiophen-3-ylpropan-2-amine
CID 82716776
1-(3-bromo-4-fluorophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 83232003
1-chloro-2-fluoro-4-(1-phenylethoxy)benzene
CID 82726969
1-(4-chlorophenyl)-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168655
1-(2-fluorophenyl)-1-trimethylsilyloxypropan-2-amine
CID 112548408
2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine
CID 82727291
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine (CID 82716782) is 1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine is CC(N)C(Oc1ccc(Cl)c(F)c1)c1ccccc1F.
What is the InChIKey of 1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is KYZFTUBONHITRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9(19)15(11-4-2-3-5-13(11)17)20-10-6-7-12(16)14(18)8-10/h2-9,15H,19H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine?
1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 297.73 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 82716782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).