1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine

C17H20FNO — CID 115958617

IUPAC1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCCc1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(19)12-15-8-5-9-16(18)17(15)20-11-10-14-6-3-2-4-7-14/h2-9,13H,10-12,19H2,1H3
InChIKeyYPNKRSCDFXTGQH-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.34
Rot. Bonds6

About 1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine

1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine (PubChem CID 115958617) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine
PubChem CID115958617
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCCc1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(19)12-15-8-5-9-16(18)17(15)20-11-10-14-6-3-2-4-7-14/h2-9,13H,10-12,19H2,1H3
InChIKeyYPNKRSCDFXTGQH-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
1-[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]propan-2-amine
CID 114526348
1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
CID 115958003
2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
CID 112615861
1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 115958668
1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 115958705
4-[2-(2-aminopropyl)-6-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 112615925
1-(2-but-2-ynoxy-3-fluorophenyl)propan-2-amine
CID 112615813
1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
1-[2-(4-phenylbutoxy)phenyl]propan-2-amine
CID 114334354

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine (CID 115958617) is 1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine is CC(N)Cc1cccc(F)c1OCCc1ccccc1.
What is the InChIKey of 1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine?
The InChIKey is YPNKRSCDFXTGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(19)12-15-8-5-9-16(18)17(15)20-11-10-14-6-3-2-4-7-14/h2-9,13H,10-12,19H2,1H3.
What are the key properties of 1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine?
1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 115958617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).