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

C12H16F3NO — CID 834372

IUPAC2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
SMILESCC(C)(CO)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-11(2,8-17)16-7-9-5-3-4-6-10(9)12(13,14)15/h3-6,16-17H,7-8H2,1-2H3
InChIKeyPFMKMSRITYBBLJ-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.57
Rot. Bonds4

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

2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol (PubChem CID 834372) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
PubChem CID834372
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
SMILESCC(C)(CO)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-11(2,8-17)16-7-9-5-3-4-6-10(9)12(13,14)15/h3-6,16-17H,7-8H2,1-2H3
InChIKeyPFMKMSRITYBBLJ-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol (CID 834372) is 2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol is CC(C)(CO)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The InChIKey is PFMKMSRITYBBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-11(2,8-17)16-7-9-5-3-4-6-10(9)12(13,14)15/h3-6,16-17H,7-8H2,1-2H3.
What are the key properties of 2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol has a molecular weight of 247.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 834372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).