3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine

C13H18F3NO2 — CID 132588734

IUPAC3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
SMILESCOc1ccc(C(C)(C)C(N)C(F)(F)F)c(OC)c1
InChIInChI=1S/C13H18F3NO2/c1-12(2,11(17)13(14,15)16)9-6-5-8(18-3)7-10(9)19-4/h5-7,11H,17H2,1-4H3
InChIKeyYKVDAJZDEWVMPZ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.87
Rot. Bonds4

About 3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine

3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine (PubChem CID 132588734) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
PubChem CID132588734
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
SMILESCOc1ccc(C(C)(C)C(N)C(F)(F)F)c(OC)c1
InChIInChI=1S/C13H18F3NO2/c1-12(2,11(17)13(14,15)16)9-6-5-8(18-3)7-10(9)19-4/h5-7,11H,17H2,1-4H3
InChIKeyYKVDAJZDEWVMPZ-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-3-methyl-3-(2,3,4-trimethoxyphenyl)butan-2-amine
CID 132588707
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol
CID 63082925
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
2-(2,4-dimethoxyphenyl)-1-methoxypropan-2-amine
CID 62801794
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
methyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2-methylbutanoate
CID 62393818
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
2-(difluoromethoxy)-4-methoxy-1-(trifluoromethyl)benzene
CID 46311605
1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839369
(1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride
CID 171239954
2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117337731

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine (CID 132588734) is 3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine is COc1ccc(C(C)(C)C(N)C(F)(F)F)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine?
The InChIKey is YKVDAJZDEWVMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-12(2,11(17)13(14,15)16)9-6-5-8(18-3)7-10(9)19-4/h5-7,11H,17H2,1-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine?
3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1,1,1-trifluoro-3-methylbutan-2-amine is sourced from PubChem (CID 132588734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).