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

C16H24F3N — CID 83139698

IUPACN-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCCNCC(Cc1cccc(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C16H24F3N/c1-5-20-11-14(15(2,3)4)10-12-7-6-8-13(9-12)16(17,18)19/h6-9,14,20H,5,10-11H2,1-4H3
InChIKeyABTKDRDJBPBGIS-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.52
Rot. Bonds5

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

N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine (PubChem CID 83139698) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
PubChem CID83139698
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCCNCC(Cc1cccc(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C16H24F3N/c1-5-20-11-14(15(2,3)4)10-12-7-6-8-13(9-12)16(17,18)19/h6-9,14,20H,5,10-11H2,1-4H3
InChIKeyABTKDRDJBPBGIS-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55083297
N-ethyl-3-methyl-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81019957
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81011675
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 107446774
3,3-dimethyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83141197
1-tert-butyl-3-[2-(trifluoromethyl)pentyl]benzene
CID 70646216
2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138561
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine (CID 83139698) is N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine is CCNCC(Cc1cccc(C(F)(F)F)c1)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The InChIKey is ABTKDRDJBPBGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-5-20-11-14(15(2,3)4)10-12-7-6-8-13(9-12)16(17,18)19/h6-9,14,20H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine?
N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 83139698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).