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

C16H16F3NO — CID 4541

IUPAC3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2
InChIKeyWIQRCHMSJFFONW-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.17
Rot. Bonds5

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

3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 4541) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID4541
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2
InChIKeyWIQRCHMSJFFONW-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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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 4541) is 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is WIQRCHMSJFFONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2.
What are the key properties of 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
3-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 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 4541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).