1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C16H16F3NO — CID 54001811

IUPAC1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNC(CCOc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-11-10-15(20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2
InChIKeyKMDKWFHOVPQFEY-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.17
Rot. Bonds5

About 1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 54001811) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID54001811
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNC(CCOc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-11-10-15(20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2
InChIKeyKMDKWFHOVPQFEY-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 62790964
1-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)benzene
CID 79403226
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine
CID 171230780
3-(4-nitrophenoxy)-1-phenylpropan-1-amine
CID 173162895
(1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine
CID 51889884
(1S)-4,4,4-trifluoro-1-(4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230781
1-(3-iodopropoxy)-4-(trifluoromethyl)benzene
CID 148798788
4-phenoxy-1-pyridin-4-ylbutan-1-amine
CID 114991659
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
(2R)-2-amino-6-[4-(trifluoromethyl)phenoxy]hexane-1-thiol;hydrochloride
CID 87876037
1,1,1-trifluoro-5-phenoxypentan-3-amine
CID 115002824

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of 1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 54001811) is 1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for 1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is NC(CCOc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is KMDKWFHOVPQFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-11-10-15(20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2.
What are the key properties of 1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 295.30 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 54001811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).