1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine

C22H24F3N — CID 144948488

IUPAC1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine
SMILESC=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C)c(C(C)=C(C)C)c1
InChIInChI=1S/C22H24F3N/c1-14(2)16(4)21-12-19(10-9-15(21)3)17(5)26-13-18-7-6-8-20(11-18)22(23,24)25/h6-12,26H,5,13H2,1-4H3
InChIKeyZBKSMBAGYFEIEF-UHFFFAOYSA-N
MW359.44 g/mol
LogP6.59
Rot. Bonds5

About 1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine

1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine (PubChem CID 144948488) has the molecular formula C22H24F3N and a molecular weight of 359.44 g/mol. Its IUPAC name is 1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine.

Molecular Properties

Compound Name1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine
PubChem CID144948488
Molecular FormulaC22H24F3N
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine
SMILESC=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C)c(C(C)=C(C)C)c1
InChIInChI=1S/C22H24F3N/c1-14(2)16(4)21-12-19(10-9-15(21)3)17(5)26-13-18-7-6-8-20(11-18)22(23,24)25/h6-12,26H,5,13H2,1-4H3
InChIKeyZBKSMBAGYFEIEF-UHFFFAOYSA-N
XLogP6.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.44
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
1-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea
CID 27042254
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 2-methylbenzoate
CID 46860424
1-(4-acetylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea
CID 19058022
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
1-ethyl-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea
CID 35766929
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
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2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine?
The IUPAC name of 1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine (CID 144948488) is 1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine.
What is the SMILES notation for 1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine?
The canonical SMILES for 1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine is C=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C)c(C(C)=C(C)C)c1.
What is the InChIKey of 1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine?
The InChIKey is ZBKSMBAGYFEIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N/c1-14(2)16(4)21-12-19(10-9-15(21)3)17(5)26-13-18-7-6-8-20(11-18)22(23,24)25/h6-12,26H,5,13H2,1-4H3.
What are the key properties of 1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine?
1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine has a molecular weight of 359.44 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethenamine is sourced from PubChem (CID 144948488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).