2-(3,4-difluorophenoxy)-1-phenylethanamine

C14H13F2NO — CID 63772754

IUPAC2-(3,4-difluorophenoxy)-1-phenylethanamine
SMILESNC(COc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C14H13F2NO/c15-12-7-6-11(8-13(12)16)18-9-14(17)10-4-2-1-3-5-10/h1-8,14H,9,17H2
InChIKeyPNZKBJJAVCDEFN-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.04
Rot. Bonds4

About 2-(3,4-difluorophenoxy)-1-phenylethanamine

2-(3,4-difluorophenoxy)-1-phenylethanamine (PubChem CID 63772754) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1-phenylethanamine
PubChem CID63772754
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-(3,4-difluorophenoxy)-1-phenylethanamine
SMILESNC(COc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C14H13F2NO/c15-12-7-6-11(8-13(12)16)18-9-14(17)10-4-2-1-3-5-10/h1-8,14H,9,17H2
InChIKeyPNZKBJJAVCDEFN-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-fluorophenoxy)-1-phenylethanamine
CID 65203757
4-(3-bromo-2-phenylpropoxy)-1,2-difluorobenzene
CID 65015849
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162339872
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
2-(4-bromophenoxy)-1-phenylethanamine
CID 63771219
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine
CID 114673476
2-(3-fluoro-4-methylphenoxy)-1-(3-fluorophenyl)ethanamine
CID 107524173
1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride
CID 138991019
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine
CID 86262545

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1-phenylethanamine?
The IUPAC name of 2-(3,4-difluorophenoxy)-1-phenylethanamine (CID 63772754) is 2-(3,4-difluorophenoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1-phenylethanamine?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1-phenylethanamine is NC(COc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1-phenylethanamine?
The InChIKey is PNZKBJJAVCDEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-12-7-6-11(8-13(12)16)18-9-14(17)10-4-2-1-3-5-10/h1-8,14H,9,17H2.
What are the key properties of 2-(3,4-difluorophenoxy)-1-phenylethanamine?
2-(3,4-difluorophenoxy)-1-phenylethanamine has a molecular weight of 249.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1-phenylethanamine is sourced from PubChem (CID 63772754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).