N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine

C11H12F3N — CID 105005495

IUPACN,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3N/c1-6(2)11(15-3)7-4-5-8(12)10(14)9(7)13/h4-5,11,15H,1H2,2-3H3
InChIKeyACNHLMIZNAHYHJ-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.94
Rot. Bonds3

About N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine

N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine (PubChem CID 105005495) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine
PubChem CID105005495
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC NameN,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3N/c1-6(2)11(15-3)7-4-5-8(12)10(14)9(7)13/h4-5,11,15H,1H2,2-3H3
InChIKeyACNHLMIZNAHYHJ-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005147
[1-(2-bromo-3,4-difluorophenyl)-2-methylprop-2-enyl]hydrazine
CID 107541321
1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79189960
1-(2,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005127
1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
CID 130594674
1-(5-chloro-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005229
1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 107994087
1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005497
2-ethoxy-N-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 64532781
1-(3-bromo-2-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005146
1-(2-bromo-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 107985164
2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 63718158

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine (CID 105005495) is N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine is C=C(C)C(NC)c1ccc(F)c(F)c1F.
What is the InChIKey of N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine?
The InChIKey is ACNHLMIZNAHYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-6(2)11(15-3)7-4-5-8(12)10(14)9(7)13/h4-5,11,15H,1H2,2-3H3.
What are the key properties of N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine?
N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine has a molecular weight of 215.22 g/mol, XLogP of 2.94, 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-(2,3,4-trifluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 105005495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).