N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine

C19H20F3N — CID 6447326

IUPACN-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(Cc1cccc(C(F)(F)F)c1)NC/C=C/c1ccccc1
InChIInChI=1S/C19H20F3N/c1-15(23-12-6-10-16-7-3-2-4-8-16)13-17-9-5-11-18(14-17)19(20,21)22/h2-11,14-15,23H,12-13H2,1H3/b10-6+
InChIKeyDWMOMPIWTFFQAY-UXBLZVDNSA-N
MW319.37 g/mol
LogP4.94
Rot. Bonds6

About N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine

N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 6447326) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID6447326
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC NameN-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(Cc1cccc(C(F)(F)F)c1)NC/C=C/c1ccccc1
InChIInChI=1S/C19H20F3N/c1-15(23-12-6-10-16-7-3-2-4-8-16)13-17-9-5-11-18(14-17)19(20,21)22/h2-11,14-15,23H,12-13H2,1H3/b10-6+
InChIKeyDWMOMPIWTFFQAY-UXBLZVDNSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 6447326) is N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine is CC(Cc1cccc(C(F)(F)F)c1)NC/C=C/c1ccccc1.
What is the InChIKey of N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is DWMOMPIWTFFQAY-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H20F3N/c1-15(23-12-6-10-16-7-3-2-4-8-16)13-17-9-5-11-18(14-17)19(20,21)22/h2-11,14-15,23H,12-13H2,1H3/b10-6+.
What are the key properties of N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 319.37 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 6447326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).