3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine

C13H18F3N — CID 55095731

IUPAC3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
SMILESCC(C)(C)C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-12(2,3)11(17)8-9-5-4-6-10(7-9)13(14,15)16/h4-7,11H,8,17H2,1-3H3
InChIKeyCJMNSPFPKXTCKY-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.62
Rot. Bonds2

About 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine

3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine (PubChem CID 55095731) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
PubChem CID55095731
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
SMILESCC(C)(C)C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-12(2,3)11(17)8-9-5-4-6-10(7-9)13(14,15)16/h4-7,11H,8,17H2,1-3H3
InChIKeyCJMNSPFPKXTCKY-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 69374582
1-tert-butylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65132993
1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
CID 84727054
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105293250
1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65422341
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine (CID 55095731) is 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine is CC(C)(C)C(N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine?
The InChIKey is CJMNSPFPKXTCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-12(2,3)11(17)8-9-5-4-6-10(7-9)13(14,15)16/h4-7,11H,8,17H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine?
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine has a molecular weight of 245.29 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine is sourced from PubChem (CID 55095731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).