1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine

C11H14F3NO — CID 103466015

IUPAC1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine
SMILESCNC(COC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-15-10(8-16-2,11(12,13)14)9-6-4-3-5-7-9/h3-7,15H,8H2,1-2H3
InChIKeySVBNGGFMMYPBAD-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.31
Rot. Bonds4

About 1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine

1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine (PubChem CID 103466015) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine
PubChem CID103466015
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine
SMILESCNC(COC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-15-10(8-16-2,11(12,13)14)9-6-4-3-5-7-9/h3-7,15H,8H2,1-2H3
InChIKeySVBNGGFMMYPBAD-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine
CID 66204953
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
4-methoxy-3-(methylamino)-3-phenylbutanamide
CID 103466300
4-methoxy-3-(methylamino)-3-phenylbutan-1-ol
CID 103466320
1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine
CID 66205754
1-N'-methyl-1-phenylethane-1,1-diamine
CID 143337584
N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine
CID 71604916
2,3,3,3-tetrafluoro-N-methyl-2-phenylpropan-1-amine
CID 84735274
[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate
CID 141400887
2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103465713
methyl (3S)-3-amino-4,4,4-trifluoro-3-phenylbutanoate
CID 125468078
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 67717201

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine (CID 103466015) is 1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine is CNC(COC)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine?
The InChIKey is SVBNGGFMMYPBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-15-10(8-16-2,11(12,13)14)9-6-4-3-5-7-9/h3-7,15H,8H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine?
1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine has a molecular weight of 233.23 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine is sourced from PubChem (CID 103466015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).