(2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine

C12H16F3NO — CID 26458622

IUPAC(2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCOC[C@H](C)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-9(8-17-2)16-7-10-5-3-4-6-11(10)12(13,14)15/h3-6,9,16H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyCJBLEVZCUSNWTM-VIFPVBQESA-N
MW247.26 g/mol
LogP2.83
Rot. Bonds5

About (2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine

(2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine (PubChem CID 26458622) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is (2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
PubChem CID26458622
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name(2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCOC[C@H](C)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-9(8-17-2)16-7-10-5-3-4-6-11(10)12(13,14)15/h3-6,9,16H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyCJBLEVZCUSNWTM-VIFPVBQESA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine (CID 26458622) is (2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine is COC[C@H](C)NCc1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The InChIKey is CJBLEVZCUSNWTM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16F3NO/c1-9(8-17-2)16-7-10-5-3-4-6-11(10)12(13,14)15/h3-6,9,16H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
(2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine has a molecular weight of 247.26 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 26458622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).