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

C13H15F6N — CID 139965920

IUPAC1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C13H15F6N/c1-11(2,3)10(20)9-7(12(14,15)16)5-4-6-8(9)13(17,18)19/h4-6,10H,20H2,1-3H3
InChIKeyDRUPUOZCKNOEMA-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.77
Rot. Bonds1

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

1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine (PubChem CID 139965920) has the molecular formula C13H15F6N and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
PubChem CID139965920
Molecular FormulaC13H15F6N
Molecular Weight299.26 g/mol
Exact Mass299.11
IUPAC Name1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C13H15F6N/c1-11(2,3)10(20)9-7(12(14,15)16)5-4-6-8(9)13(17,18)19/h4-6,10H,20H2,1-3H3
InChIKeyDRUPUOZCKNOEMA-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-[2,3,6-tris(trifluoromethyl)phenyl]propan-1-amine
CID 139965977
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171242278
(1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine
CID 170896581
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242808
1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine
CID 84671370
(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
CID 66515831
1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84684450
2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline
CID 130715208
(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 131585699
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227313
(1S)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171245009
(1R)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242250

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine (CID 139965920) is 1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of 1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine?
The InChIKey is DRUPUOZCKNOEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6N/c1-11(2,3)10(20)9-7(12(14,15)16)5-4-6-8(9)13(17,18)19/h4-6,10H,20H2,1-3H3.
What are the key properties of 1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine?
1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine has a molecular weight of 299.26 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 139965920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).