2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline

C11H12F3N — CID 66479743

IUPAC2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline
SMILESC=CCNc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C11H12F3N/c1-3-6-15-10-7-9(11(12,13)14)5-4-8(10)2/h3-5,7,15H,1,6H2,2H3
InChIKeyDADUJFPPTVEZKO-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.61
Rot. Bonds3

About 2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline

2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline (PubChem CID 66479743) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline
PubChem CID66479743
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline
SMILESC=CCNc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C11H12F3N/c1-3-6-15-10-7-9(11(12,13)14)5-4-8(10)2/h3-5,7,15H,1,6H2,2H3
InChIKeyDADUJFPPTVEZKO-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
2-bromo-N-prop-2-enyl-4-(trifluoromethyl)aniline
CID 115511646
2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline
CID 66481146
N-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)aniline
CID 107907236
(Z)-2-ethyl-4-[2-methyl-5-(trifluoromethyl)anilino]but-2-enoic acid
CID 103255420
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline
CID 106437871
2-methyl-N-oxido-5-(trifluoromethyl)aniline
CID 176656270
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480735

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline (CID 66479743) is 2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline is C=CCNc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of 2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline?
The InChIKey is DADUJFPPTVEZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-3-6-15-10-7-9(11(12,13)14)5-4-8(10)2/h3-5,7,15H,1,6H2,2H3.
What are the key properties of 2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline?
2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline has a molecular weight of 215.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66479743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).