1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine

C13H15F6NO2 — CID 139965943

IUPAC1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1c(OC(F)(F)F)cccc1OC(F)(F)F)C(C)C
InChIInChI=1S/C13H15F6NO2/c1-7(2)11(20-3)10-8(21-12(14,15)16)5-4-6-9(10)22-13(17,18)19/h4-7,11,20H,1-3H3
InChIKeyYTJNCBFJJTWENJ-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.40
Rot. Bonds5

About 1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine

1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine (PubChem CID 139965943) has the molecular formula C13H15F6NO2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine
PubChem CID139965943
Molecular FormulaC13H15F6NO2
Molecular Weight331.26 g/mol
Exact Mass331.10
IUPAC Name1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1c(OC(F)(F)F)cccc1OC(F)(F)F)C(C)C
InChIInChI=1S/C13H15F6NO2/c1-7(2)11(20-3)10-8(21-12(14,15)16)5-4-6-9(10)22-13(17,18)19/h4-7,11,20H,1-3H3
InChIKeyYTJNCBFJJTWENJ-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 79492226
N-methyl-1-[2,3,6-tris(trifluoromethoxy)phenyl]ethanamine
CID 139966111
2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116715413
2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116716585
1,8-bis(trifluoromethoxy)naphthalene
CID 118813409
N-methyl-1-[2,3,6-tris(trifluoromethoxy)phenyl]propan-1-amine
CID 139965798
1-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 63084391
methyl 3-methyl-2-[2-(trifluoromethoxy)phenyl]butanoate
CID 55071882
1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 105024933
1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115792789
1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 134237189
N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720263

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine (CID 139965943) is 1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine is CNC(c1c(OC(F)(F)F)cccc1OC(F)(F)F)C(C)C.
What is the InChIKey of 1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine?
The InChIKey is YTJNCBFJJTWENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6NO2/c1-7(2)11(20-3)10-8(21-12(14,15)16)5-4-6-9(10)22-13(17,18)19/h4-7,11,20H,1-3H3.
What are the key properties of 1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine?
1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine has a molecular weight of 331.26 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 139965943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).