1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine

C15H14ClF2NO — CID 63038314

IUPAC1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine
SMILESCC(N)C(Oc1cccc(F)c1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(19)15(10-4-2-5-11(16)8-10)20-13-7-3-6-12(17)14(13)18/h2-9,15H,19H2,1H3
InChIKeyBEROAXHLAOTEKW-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.09
Rot. Bonds4

About 1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine

1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine (PubChem CID 63038314) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine
PubChem CID63038314
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine
SMILESCC(N)C(Oc1cccc(F)c1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-9(19)15(10-4-2-5-11(16)8-10)20-13-7-3-6-12(17)14(13)18/h2-9,15H,19H2,1H3
InChIKeyBEROAXHLAOTEKW-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-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980563
1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 63037095
1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656348
1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
CID 62669709
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine
CID 63038311
1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine
CID 63038140
1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine
CID 114208291
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine
CID 55019946
1-(2-fluorophenoxy)-1-(4-methylphenyl)propan-2-amine
CID 55016476
1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine
CID 55019758

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine (CID 63038314) is 1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine is CC(N)C(Oc1cccc(F)c1F)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine?
The InChIKey is BEROAXHLAOTEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9(19)15(10-4-2-5-11(16)8-10)20-13-7-3-6-12(17)14(13)18/h2-9,15H,19H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine?
1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)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-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine is sourced from PubChem (CID 63038314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).