1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine

C16H17F2NO — CID 115958647

IUPAC1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H17F2NO/c1-11(19)9-13-3-2-4-15(18)16(13)20-10-12-5-7-14(17)8-6-12/h2-8,11H,9-10,19H2,1H3
InChIKeyFTEGRCTZBCHMGZ-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.43
Rot. Bonds5

About 1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine

1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 115958647) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID115958647
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(F)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H17F2NO/c1-11(19)9-13-3-2-4-15(18)16(13)20-10-12-5-7-14(17)8-6-12/h2-8,11H,9-10,19H2,1H3
InChIKeyFTEGRCTZBCHMGZ-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
1-[3-fluoro-2-[(3-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 115958705
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958703
1-[3-fluoro-2-(2-phenylethoxy)phenyl]propan-2-amine
CID 115958617
1-[3-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102878226
1-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 112615919
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
CID 112615861
1-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 112615879
1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60908017
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine (CID 115958647) is 1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1cccc(F)c1OCc1ccc(F)cc1.
What is the InChIKey of 1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is FTEGRCTZBCHMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(19)9-13-3-2-4-15(18)16(13)20-10-12-5-7-14(17)8-6-12/h2-8,11H,9-10,19H2,1H3.
What are the key properties of 1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine?
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 277.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 115958647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).