(2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine

C11H14F3NO — CID 92974659

IUPAC(2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC[C@@H](OC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-15-7-10(16-2)8-3-5-9(6-4-8)11(12,13)14/h3-6,10,15H,7H2,1-2H3/t10-/m1/s1
InChIKeyUICBGUOBHTYPNV-SNVBAGLBSA-N
MW233.23 g/mol
LogP2.61
Rot. Bonds4

About (2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine

(2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 92974659) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is (2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID92974659
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name(2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC[C@@H](OC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-15-7-10(16-2)8-3-5-9(6-4-8)11(12,13)14/h3-6,10,15H,7H2,1-2H3/t10-/m1/s1
InChIKeyUICBGUOBHTYPNV-SNVBAGLBSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 92974659) is (2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine is CNC[C@@H](OC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is UICBGUOBHTYPNV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-15-7-10(16-2)8-3-5-9(6-4-8)11(12,13)14/h3-6,10,15H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine?
(2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 233.23 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 92974659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).