3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine

C15H22F3NO — CID 106680472

IUPAC3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1c(C)cc(C)cc1OC
InChIInChI=1S/C15H22F3NO/c1-5-6-19-12(9-15(16,17)18)14-11(3)7-10(2)8-13(14)20-4/h7-8,12,19H,5-6,9H2,1-4H3
InChIKeyQMBDVRIZLGUTET-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.31
Rot. Bonds6

About 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine

3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine (PubChem CID 106680472) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine
PubChem CID106680472
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1c(C)cc(C)cc1OC
InChIInChI=1S/C15H22F3NO/c1-5-6-19-12(9-15(16,17)18)14-11(3)7-10(2)8-13(14)20-4/h7-8,12,19H,5-6,9H2,1-4H3
InChIKeyQMBDVRIZLGUTET-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116810349
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 106680156
4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106682449
1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 106881532
4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680772
N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 106680685
(1S)-1-(2,6-dimethoxy-4-methylphenyl)-3,3,3-trifluoropropan-1-amine
CID 171235561
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63475624
N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 106680815
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680622
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine (CID 106680472) is 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)c1c(C)cc(C)cc1OC.
What is the InChIKey of 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine?
The InChIKey is QMBDVRIZLGUTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-5-6-19-12(9-15(16,17)18)14-11(3)7-10(2)8-13(14)20-4/h7-8,12,19H,5-6,9H2,1-4H3.
What are the key properties of 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine?
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 106680472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).