N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine

C12H14F3N — CID 105005111

IUPACN,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-8(2)11(16-3)9-4-6-10(7-5-9)12(13,14)15/h4-7,11,16H,1H2,2-3H3
InChIKeyWMYLJXVGEYVFAJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.54
Rot. Bonds3

About N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine

N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 105005111) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID105005111
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3N/c1-8(2)11(16-3)9-4-6-10(7-5-9)12(13,14)15/h4-7,11,16H,1H2,2-3H3
InChIKeyWMYLJXVGEYVFAJ-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.54
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

(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 93280035
2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 43753723
1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005216
1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 107994087
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]prop-2-en-1-amine
CID 115900097
1-(3,5-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005125
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 105039166
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79016422
N,2-dimethyl-1-pyridazin-4-ylprop-2-en-1-amine
CID 105163770
2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79197895
3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
CID 115817570

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 105005111) is N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine is C=C(C)C(NC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is WMYLJXVGEYVFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-8(2)11(16-3)9-4-6-10(7-5-9)12(13,14)15/h4-7,11,16H,1H2,2-3H3.
What are the key properties of N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 229.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 105005111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).