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

C11H15ClF3NO — CID 2966559

IUPAC1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride
SMILESCC(O)CNCc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C11H14F3NO.ClH/c1-8(16)6-15-7-9-4-2-3-5-10(9)11(12,13)14;/h2-5,8,15-16H,6-7H2,1H3;1H
InChIKeyQIKWEQZNPFHSIV-UHFFFAOYSA-N
MW269.69 g/mol
LogP2.60
Rot. Bonds4

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

1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride (PubChem CID 2966559) has the molecular formula C11H15ClF3NO and a molecular weight of 269.69 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride
PubChem CID2966559
Molecular FormulaC11H15ClF3NO
Molecular Weight269.69 g/mol
Exact Mass269.08
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride
SMILESCC(O)CNCc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C11H14F3NO.ClH/c1-8(16)6-15-7-9-4-2-3-5-10(9)11(12,13)14;/h2-5,8,15-16H,6-7H2,1H3;1H
InChIKeyQIKWEQZNPFHSIV-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride (CID 2966559) is 1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride is CC(O)CNCc1ccccc1C(F)(F)F.Cl.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride?
The InChIKey is QIKWEQZNPFHSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO.ClH/c1-8(16)6-15-7-9-4-2-3-5-10(9)11(12,13)14;/h2-5,8,15-16H,6-7H2,1H3;1H.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride?
1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride has a molecular weight of 269.69 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 2966559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).