3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine

C15H24F3N — CID 123175642

IUPAC3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine
SMILESCC(CN)CC1C=C(C(C)(C)C)C=C(C(F)(F)F)C1
InChIInChI=1S/C15H24F3N/c1-10(9-19)5-11-6-12(14(2,3)4)8-13(7-11)15(16,17)18/h6,8,10-11H,5,7,9,19H2,1-4H3
InChIKeyMXHQPAYMPQAMEW-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.45
Rot. Bonds3

About 3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine

3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine (PubChem CID 123175642) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine
PubChem CID123175642
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine
SMILESCC(CN)CC1C=C(C(C)(C)C)C=C(C(F)(F)F)C1
InChIInChI=1S/C15H24F3N/c1-10(9-19)5-11-6-12(14(2,3)4)8-13(7-11)15(16,17)18/h6,8,10-11H,5,7,9,19H2,1-4H3
InChIKeyMXHQPAYMPQAMEW-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]butan-1-amine
CID 67316050
6-(2,2-Dimethylpropyl)-3-fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 68045081
2,6-Diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)cyclohex-3-en-1-amine
CID 123409973
[4-[(2S)-3,3-difluorobutan-2-yl]cyclopenta-1,3-dien-1-yl]methanamine
CID 124095417
1-[5-(2,2,3,3-Tetrafluoropropyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 124095833
6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine
CID 129016724
1-[4-Butan-2-yl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 135190369
(E)-4-fluoro-2,2,3,5,6-pentamethyloct-6-en-1-amine
CID 135244556
2-[(4S)-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine
CID 139323749
N-methyl-3-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-amine
CID 142009393
[4-Methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
CID 142478074
(7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine
CID 143726983

Frequently Asked Questions

What is the IUPAC name of 3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine (CID 123175642) is 3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine is CC(CN)CC1C=C(C(C)(C)C)C=C(C(F)(F)F)C1.
What is the InChIKey of 3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine?
The InChIKey is MXHQPAYMPQAMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N/c1-10(9-19)5-11-6-12(14(2,3)4)8-13(7-11)15(16,17)18/h6,8,10-11H,5,7,9,19H2,1-4H3.
What are the key properties of 3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine?
3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-tert-butyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 123175642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).