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

C17H19ClF3NO — CID 2979940

IUPAC1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride
SMILESCC(NCc1ccccc1C(F)(F)F)C(O)c1ccccc1.Cl
InChIInChI=1S/C17H18F3NO.ClH/c1-12(16(22)13-7-3-2-4-8-13)21-11-14-9-5-6-10-15(14)17(18,19)20;/h2-10,12,16,21-22H,11H2,1H3;1H
InChIKeyJMBDPLMBMKTXOZ-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.34
Rot. Bonds5

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

1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride (PubChem CID 2979940) has the molecular formula C17H19ClF3NO and a molecular weight of 345.79 g/mol. Its IUPAC name is 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride
PubChem CID2979940
Molecular FormulaC17H19ClF3NO
Molecular Weight345.79 g/mol
Exact Mass345.11
IUPAC Name1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride
SMILESCC(NCc1ccccc1C(F)(F)F)C(O)c1ccccc1.Cl
InChIInChI=1S/C17H18F3NO.ClH/c1-12(16(22)13-7-3-2-4-8-13)21-11-14-9-5-6-10-15(14)17(18,19)20;/h2-10,12,16,21-22H,11H2,1H3;1H
InChIKeyJMBDPLMBMKTXOZ-UHFFFAOYSA-N
XLogP4.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride?
The IUPAC name of 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride (CID 2979940) is 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride.
What is the SMILES notation for 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride?
The canonical SMILES for 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride is CC(NCc1ccccc1C(F)(F)F)C(O)c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride?
The InChIKey is JMBDPLMBMKTXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO.ClH/c1-12(16(22)13-7-3-2-4-8-13)21-11-14-9-5-6-10-15(14)17(18,19)20;/h2-10,12,16,21-22H,11H2,1H3;1H.
What are the key properties of 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride?
1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride has a molecular weight of 345.79 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol;hydrochloride is sourced from PubChem (CID 2979940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).