2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline

C12H15F3N2 — CID 115111123

IUPAC2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(C(F)(F)F)cc1/C=C/CN
InChIInChI=1S/C12H15F3N2/c1-17(2)11-6-5-10(12(13,14)15)8-9(11)4-3-7-16/h3-6,8H,7,16H2,1-2H3/b4-3+
InChIKeyMGNVNUHGEUEHRL-ONEGZZNKSA-N
MW244.26 g/mol
LogP2.74
Rot. Bonds3

About 2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline

2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline (PubChem CID 115111123) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline
PubChem CID115111123
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(C(F)(F)F)cc1/C=C/CN
InChIInChI=1S/C12H15F3N2/c1-17(2)11-6-5-10(12(13,14)15)8-9(11)4-3-7-16/h3-6,8H,7,16H2,1-2H3/b4-3+
InChIKeyMGNVNUHGEUEHRL-ONEGZZNKSA-N
XLogP2.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline (CID 115111123) is 2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline is CN(C)c1ccc(C(F)(F)F)cc1/C=C/CN.
What is the InChIKey of 2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline?
The InChIKey is MGNVNUHGEUEHRL-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-17(2)11-6-5-10(12(13,14)15)8-9(11)4-3-7-16/h3-6,8H,7,16H2,1-2H3/b4-3+.
What are the key properties of 2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline?
2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline has a molecular weight of 244.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 115111123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).