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

C15H15F2NO — CID 53434344

IUPAC3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine
SMILESNCCCc1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NO/c16-13-8-7-12(10-14(13)17)19-15-6-2-1-4-11(15)5-3-9-18/h1-2,4,6-8,10H,3,5,9,18H2
InChIKeyNKXKTJRAGXEOPT-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.65
Rot. Bonds5

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

3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine (PubChem CID 53434344) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine
PubChem CID53434344
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine
SMILESNCCCc1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NO/c16-13-8-7-12(10-14(13)17)19-15-6-2-1-4-11(15)5-3-9-18/h1-2,4,6-8,10H,3,5,9,18H2
InChIKeyNKXKTJRAGXEOPT-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine (CID 53434344) is 3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine is NCCCc1ccccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of 3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine?
The InChIKey is NKXKTJRAGXEOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-13-8-7-12(10-14(13)17)19-15-6-2-1-4-11(15)5-3-9-18/h1-2,4,6-8,10H,3,5,9,18H2.
What are the key properties of 3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine?
3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine has a molecular weight of 263.29 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 53434344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).