3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine

C11H14F3N — CID 117046899

IUPAC3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine
SMILESCC(N)C(C)(C)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H14F3N/c1-6(15)11(2,3)10-8(13)4-7(12)5-9(10)14/h4-6H,15H2,1-3H3
InChIKeyPDIUSOMLVGHABE-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.73
Rot. Bonds2

About 3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine

3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine (PubChem CID 117046899) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine
PubChem CID117046899
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine
SMILESCC(N)C(C)(C)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H14F3N/c1-6(15)11(2,3)10-8(13)4-7(12)5-9(10)14/h4-6H,15H2,1-3H3
InChIKeyPDIUSOMLVGHABE-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-(2,4,6-trifluorophenyl)propan-1-amine
CID 83412673
(1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 125466549
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 43198662
(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine
CID 131505705
2-tert-butyl-3,5-difluorophenol
CID 118328413
1,3,5-trifluoro-2-(3-methylbutan-2-yl)benzene
CID 76786505
(1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171248131
2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid
CID 83402908
1-(2,3-dimethylbutan-2-yl)-3,5-difluorobenzene
CID 146551648
3,5-difluoro-2-(trifluoromethyl)aniline
CID 2783410
1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene
CID 176962809
(1S)-3-methyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 28501623

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine?
The IUPAC name of 3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine (CID 117046899) is 3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine.
What is the SMILES notation for 3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine?
The canonical SMILES for 3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine is CC(N)C(C)(C)c1c(F)cc(F)cc1F.
What is the InChIKey of 3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine?
The InChIKey is PDIUSOMLVGHABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-6(15)11(2,3)10-8(13)4-7(12)5-9(10)14/h4-6H,15H2,1-3H3.
What are the key properties of 3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine?
3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine has a molecular weight of 217.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,4,6-trifluorophenyl)butan-2-amine is sourced from PubChem (CID 117046899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).