2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine

C16H24F3N — CID 63511400

IUPAC2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC(CC)(CNC(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3N/c1-5-15(6-2,11-20-12(3)4)13-8-7-9-14(10-13)16(17,18)19/h7-10,12,20H,5-6,11H2,1-4H3
InChIKeyRQUHTPVRLICBSR-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.76
Rot. Bonds6

About 2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine

2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 63511400) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID63511400
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC(CC)(CNC(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3N/c1-5-15(6-2,11-20-12(3)4)13-8-7-9-14(10-13)16(17,18)19/h7-10,12,20H,5-6,11H2,1-4H3
InChIKeyRQUHTPVRLICBSR-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 55096001
N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 62595704
2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 62596429
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
2-methyl-1-(propan-2-ylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 66037251
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]propan-2-amine
CID 60683062
N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine (CID 63511400) is 2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine is CCC(CC)(CNC(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is RQUHTPVRLICBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-5-15(6-2,11-20-12(3)4)13-8-7-9-14(10-13)16(17,18)19/h7-10,12,20H,5-6,11H2,1-4H3.
What are the key properties of 2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine?
2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 63511400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).