N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine

C15H20F3N — CID 79341054

IUPACN-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCC(=Cc1ccc(C(F)(F)F)cc1)CNC(C)(C)C
InChIInChI=1S/C15H20F3N/c1-11(10-19-14(2,3)4)9-12-5-7-13(8-6-12)15(16,17)18/h5-9,19H,10H2,1-4H3
InChIKeyNSAMOELZOSPJFT-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.50
Rot. Bonds3

About N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine

N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 79341054) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID79341054
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCC(=Cc1ccc(C(F)(F)F)cc1)CNC(C)(C)C
InChIInChI=1S/C15H20F3N/c1-11(10-19-14(2,3)4)9-12-5-7-13(8-6-12)15(16,17)18/h5-9,19H,10H2,1-4H3
InChIKeyNSAMOELZOSPJFT-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine
CID 113328657
1-[(1E)-2-methylhexa-1,5-dienyl]-4-(trifluoromethyl)benzene
CID 44604603
1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene
CID 166931724
(Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine
CID 155154313
(Z)-4-[4-[(Z)-3-oxo-2-[4-(trifluoromethyl)phenyl]but-1-enyl]phenyl]-3-[4-(trifluoromethyl)phenyl]but-3-en-2-one
CID 90047932
(E)-N-ethylsulfanyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 153347012
(2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine
CID 115525791
(E)-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 138624935
2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine
CID 167341767
(E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol
CID 70593389
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine
CID 79343823

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 79341054) is N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine is CC(=Cc1ccc(C(F)(F)F)cc1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is NSAMOELZOSPJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-11(10-19-14(2,3)4)9-12-5-7-13(8-6-12)15(16,17)18/h5-9,19H,10H2,1-4H3.
What are the key properties of N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 79341054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).