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

C11H15F3N2O — CID 70832697

IUPAC(2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
SMILESNC[C@H](O)CNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)9-3-1-2-8(4-9)6-16-7-10(17)5-15/h1-4,10,16-17H,5-7,15H2/t10-/m0/s1
InChIKeyFESBPWNBOZMJKT-JTQLQIEISA-N
MW248.25 g/mol
LogP1.11
Rot. Bonds5

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

(2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol (PubChem CID 70832697) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is (2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
PubChem CID70832697
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name(2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
SMILESNC[C@H](O)CNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)9-3-1-2-8(4-9)6-16-7-10(17)5-15/h1-4,10,16-17H,5-7,15H2/t10-/m0/s1
InChIKeyFESBPWNBOZMJKT-JTQLQIEISA-N
XLogP1.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol (CID 70832697) is (2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol is NC[C@H](O)CNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
The InChIKey is FESBPWNBOZMJKT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)9-3-1-2-8(4-9)6-16-7-10(17)5-15/h1-4,10,16-17H,5-7,15H2/t10-/m0/s1.
What are the key properties of (2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol?
(2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol has a molecular weight of 248.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 70832697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).