3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine

C13H18F3NO2 — CID 66205349

IUPAC3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine
SMILESCNC(C)(Cc1ccc(OC)c(OC)c1)C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-12(17-2,13(14,15)16)8-9-5-6-10(18-3)11(7-9)19-4/h5-7,17H,8H2,1-4H3
InChIKeyRLUKEJLYTYCSAO-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.79
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine (PubChem CID 66205349) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine
PubChem CID66205349
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine
SMILESCNC(C)(Cc1ccc(OC)c(OC)c1)C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-12(17-2,13(14,15)16)8-9-5-6-10(18-3)11(7-9)19-4/h5-7,17H,8H2,1-4H3
InChIKeyRLUKEJLYTYCSAO-UHFFFAOYSA-N
XLogP2.79
TPSA30.49 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine
CID 66204548
1-bromo-3-(3,4-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-ol
CID 107140181
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222331
3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea
CID 15675512
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328
2-[2-(3,4-dimethoxyphenyl)ethylamino]propane-2-thiol
CID 145473634
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 3831656
N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
CID 113234422
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132665
(3R)-N-[(3,4-dimethoxyphenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9082453
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-acetamido-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 4990870

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine (CID 66205349) is 3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine is CNC(C)(Cc1ccc(OC)c(OC)c1)C(F)(F)F.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine?
The InChIKey is RLUKEJLYTYCSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-12(17-2,13(14,15)16)8-9-5-6-10(18-3)11(7-9)19-4/h5-7,17H,8H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine?
3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 66205349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).