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

C15H14F3NO — CID 63037095

IUPAC1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine
SMILESCC(N)C(Oc1cccc(F)c1F)c1ccc(F)cc1
InChIInChI=1S/C15H14F3NO/c1-9(19)15(10-5-7-11(16)8-6-10)20-13-4-2-3-12(17)14(13)18/h2-9,15H,19H2,1H3
InChIKeyCHDDMZFHNYZNHN-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.57
Rot. Bonds4

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

1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine (PubChem CID 63037095) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine
PubChem CID63037095
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine
SMILESCC(N)C(Oc1cccc(F)c1F)c1ccc(F)cc1
InChIInChI=1S/C15H14F3NO/c1-9(19)15(10-5-7-11(16)8-6-10)20-13-4-2-3-12(17)14(13)18/h2-9,15H,19H2,1H3
InChIKeyCHDDMZFHNYZNHN-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

Analyze 1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine
CID 63038314
1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656348
1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine
CID 55016476
1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine
CID 63038311
1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine
CID 63036389
1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine
CID 55015269
1-(3-bromophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 55014732
4-(2,3-difluorophenoxy)pentan-2-amine
CID 64720911
2-(2,3-difluorophenoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 63036757
1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
CID 63984561
2-(2,3-difluorophenoxy)propanamide
CID 63038540
1-[2-(2,3-difluorophenoxy)phenyl]ethanamine
CID 55143803

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine (CID 63037095) is 1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine is CC(N)C(Oc1cccc(F)c1F)c1ccc(F)cc1.
What is the InChIKey of 1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is CHDDMZFHNYZNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9(19)15(10-5-7-11(16)8-6-10)20-13-4-2-3-12(17)14(13)18/h2-9,15H,19H2,1H3.
What are the key properties of 1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine?
1-(2,3-difluorophenoxy)-1-(4-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-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 63037095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).