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

C16H16F3NO — CID 3058751

IUPAC(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCC[C@H](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/t15-/m0/s1
InChIKeyWIQRCHMSJFFONW-HNNXBMFYSA-N
MW295.30 g/mol
LogP4.17
Rot. Bonds5

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

(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 3058751) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID3058751
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCC[C@H](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/t15-/m0/s1
InChIKeyWIQRCHMSJFFONW-HNNXBMFYSA-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

Analyze (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 3058751) is (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is NCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is WIQRCHMSJFFONW-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
(3S)-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 (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 3058751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).