3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine

C15H14F3NO — CID 112693450

IUPAC3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
SMILESNC(CC(F)(F)F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)10-14(19)11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9,14H,10,19H2
InChIKeyXVFNFYRDFNPLOS-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.43
Rot. Bonds4

About 3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine

3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine (PubChem CID 112693450) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
PubChem CID112693450
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
SMILESNC(CC(F)(F)F)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)10-14(19)11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9,14H,10,19H2
InChIKeyXVFNFYRDFNPLOS-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171220071
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046
(1S)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
(1R)-2,2,2-trifluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171239754
(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride
CID 171214587
[3-[(1S)-1-amino-3,3,3-trifluoropropyl]phenyl] acetate;hydrochloride
CID 171229347
(3R)-3-amino-3-(3-phenoxyphenyl)propanenitrile
CID 171260327
(1S)-3-methyl-1-(3-phenoxyphenyl)butan-1-amine;hydrochloride
CID 171220068
(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
CID 171200529
(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220070

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine (CID 112693450) is 3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine is NC(CC(F)(F)F)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine?
The InChIKey is XVFNFYRDFNPLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-15(17,18)10-14(19)11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9,14H,10,19H2.
What are the key properties of 3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine?
3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine has a molecular weight of 281.28 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine is sourced from PubChem (CID 112693450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).