3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol

C17H18F3NO — CID 15944997

IUPAC3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
SMILESOCC(Cc1ccccc1)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3NO/c18-17(19,20)16-9-5-4-8-14(16)11-21-15(12-22)10-13-6-2-1-3-7-13/h1-9,15,21-22H,10-12H2
InChIKeyVOXDILDMGONGDK-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.40
Rot. Bonds6

About 3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol

3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol (PubChem CID 15944997) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
PubChem CID15944997
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
SMILESOCC(Cc1ccccc1)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3NO/c18-17(19,20)16-9-5-4-8-14(16)11-21-15(12-22)10-13-6-2-1-3-7-13/h1-9,15,21-22H,10-12H2
InChIKeyVOXDILDMGONGDK-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The IUPAC name of 3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol (CID 15944997) is 3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol is OCC(Cc1ccccc1)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The InChIKey is VOXDILDMGONGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c18-17(19,20)16-9-5-4-8-14(16)11-21-15(12-22)10-13-6-2-1-3-7-13/h1-9,15,21-22H,10-12H2.
What are the key properties of 3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol has a molecular weight of 309.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 15944997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).