3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one

C19H20F3NO2 — CID 110177400

IUPAC3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(NCCC(=O)c1cccc(C(F)(F)F)c1)C(O)c1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-13(18(25)14-6-3-2-4-7-14)23-11-10-17(24)15-8-5-9-16(12-15)19(20,21)22/h2-9,12-13,18,23,25H,10-11H2,1H3
InChIKeyJNJLDHBCGRLIEB-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.99
Rot. Bonds7

About 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one

3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 110177400) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one
PubChem CID110177400
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(NCCC(=O)c1cccc(C(F)(F)F)c1)C(O)c1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-13(18(25)14-6-3-2-4-7-14)23-11-10-17(24)15-8-5-9-16(12-15)19(20,21)22/h2-9,12-13,18,23,25H,10-11H2,1H3
InChIKeyJNJLDHBCGRLIEB-UHFFFAOYSA-N
XLogP3.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Brl 26830A
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2-[({2-Hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl}amino)methyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one (CID 110177400) is 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one is CC(NCCC(=O)c1cccc(C(F)(F)F)c1)C(O)c1ccccc1.
What is the InChIKey of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is JNJLDHBCGRLIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-13(18(25)14-6-3-2-4-7-14)23-11-10-17(24)15-8-5-9-16(12-15)19(20,21)22/h2-9,12-13,18,23,25H,10-11H2,1H3.
What are the key properties of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one?
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 351.37 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-[3-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 110177400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).