3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline

C12H17F3N2O — CID 61229278

IUPAC3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline
SMILESCN(C)c1cccc(OC(CCN)C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O/c1-17(2)9-4-3-5-10(8-9)18-11(6-7-16)12(13,14)15/h3-5,8,11H,6-7,16H2,1-2H3
InChIKeyCFLXIQGCNMKYMC-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.41
Rot. Bonds5

About 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline

3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline (PubChem CID 61229278) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline
PubChem CID61229278
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline
SMILESCN(C)c1cccc(OC(CCN)C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O/c1-17(2)9-4-3-5-10(8-9)18-11(6-7-16)12(13,14)15/h3-5,8,11H,6-7,16H2,1-2H3
InChIKeyCFLXIQGCNMKYMC-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753381
3-(1,3-benzodioxol-5-yloxy)-4,4,4-trifluorobutan-1-amine
CID 43753320
4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine
CID 43753286
3-(6-bromonaphthalen-2-yl)oxy-4,4,4-trifluorobutan-1-amine
CID 43753369
3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline
CID 65248872
3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine
CID 63985750
3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
CID 82605939
2-[3-(dimethylamino)phenoxy]propanoic acid
CID 22683634
N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline
CID 62484883
N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline
CID 62485408
3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753350
[3-(dimethylamino)phenyl] carbamate
CID 23622089

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline?
The IUPAC name of 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline (CID 61229278) is 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline.
What is the SMILES notation for 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline?
The canonical SMILES for 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline is CN(C)c1cccc(OC(CCN)C(F)(F)F)c1.
What is the InChIKey of 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline?
The InChIKey is CFLXIQGCNMKYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-17(2)9-4-3-5-10(8-9)18-11(6-7-16)12(13,14)15/h3-5,8,11H,6-7,16H2,1-2H3.
What are the key properties of 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline?
3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline has a molecular weight of 262.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline is sourced from PubChem (CID 61229278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).