2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one

C14H18F3NO — CID 3058415

IUPAC2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(NC(C)(C)C)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-9(18-13(2,3)4)12(19)10-6-5-7-11(8-10)14(15,16)17/h5-9,18H,1-4H3
InChIKeyRBXLVNSTWJKKJH-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.66
Rot. Bonds3

About 2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one

2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 3058415) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
PubChem CID3058415
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(NC(C)(C)C)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-9(18-13(2,3)4)12(19)10-6-5-7-11(8-10)14(15,16)17/h5-9,18H,1-4H3
InChIKeyRBXLVNSTWJKKJH-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Methylethcathinone
CID 52988259
Buphedrone
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Pentedrone
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(-)-alpha-Amino-propiophenone
CID 107786
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CID 458519
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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one (CID 3058415) is 2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one is CC(NC(C)(C)C)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is RBXLVNSTWJKKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9(18-13(2,3)4)12(19)10-6-5-7-11(8-10)14(15,16)17/h5-9,18H,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one?
2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 273.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 3058415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).