1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine

C13H18F3NO2 — CID 170143488

IUPAC1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
SMILESCOc1cc(CC(F)(F)F)c(OC)cc1CC(C)N
InChIInChI=1S/C13H18F3NO2/c1-8(17)4-9-5-12(19-3)10(6-11(9)18-2)7-13(14,15)16/h5-6,8H,4,7,17H2,1-3H3
InChIKeyOZFGHDLWUVVAPY-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.70
Rot. Bonds5

About 1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine

1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine (PubChem CID 170143488) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
PubChem CID170143488
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
SMILESCOc1cc(CC(F)(F)F)c(OC)cc1CC(C)N
InChIInChI=1S/C13H18F3NO2/c1-8(17)4-9-5-12(19-3)10(6-11(9)18-2)7-13(14,15)16/h5-6,8H,4,7,17H2,1-3H3
InChIKeyOZFGHDLWUVVAPY-UHFFFAOYSA-N
XLogP2.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,5-dimethoxy-4-(5,5,5-trifluoropentyl)phenyl]propan-2-amine
CID 165123589
1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine
CID 117355444
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 147165648
1-[3-chloro-2,5-dimethoxy-4-(trifluoromethyl)phenyl]propan-2-amine
CID 169028870
1,1,1-trifluoro-3-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 132588692
1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84724008
(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
CID 69398998
1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine
CID 167705382
(2S)-1-(4-ethylsulfonyl-2,5-dimethoxyphenyl)propan-2-amine
CID 101190835

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine (CID 170143488) is 1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine is COc1cc(CC(F)(F)F)c(OC)cc1CC(C)N.
What is the InChIKey of 1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
The InChIKey is OZFGHDLWUVVAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-8(17)4-9-5-12(19-3)10(6-11(9)18-2)7-13(14,15)16/h5-6,8H,4,7,17H2,1-3H3.
What are the key properties of 1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine?
1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine is sourced from PubChem (CID 170143488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).