N-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine

C15H16F3NO — CID 142705526

IUPACN-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine
SMILESCOC/C=C/c1cc(CNC2=CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO/c1-20-6-2-3-11-7-12(10-19-14-4-5-14)9-13(8-11)15(16,17)18/h2-4,7-9,19H,5-6,10H2,1H3/b3-2+
InChIKeyXAIIPQGWZPLJAC-NSCUHMNNSA-N
MW283.29 g/mol
LogP3.74
Rot. Bonds6

About N-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine

N-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine (PubChem CID 142705526) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine.

Molecular Properties

Compound NameN-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine
PubChem CID142705526
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC NameN-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine
SMILESCOC/C=C/c1cc(CNC2=CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO/c1-20-6-2-3-11-7-12(10-19-14-4-5-14)9-13(8-11)15(16,17)18/h2-4,7-9,19H,5-6,10H2,1H3/b3-2+
InChIKeyXAIIPQGWZPLJAC-NSCUHMNNSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine?
The IUPAC name of N-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine (CID 142705526) is N-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine.
What is the SMILES notation for N-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine?
The canonical SMILES for N-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine is COC/C=C/c1cc(CNC2=CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine?
The InChIKey is XAIIPQGWZPLJAC-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-20-6-2-3-11-7-12(10-19-14-4-5-14)9-13(8-11)15(16,17)18/h2-4,7-9,19H,5-6,10H2,1H3/b3-2+.
What are the key properties of N-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine?
N-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine has a molecular weight of 283.29 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropen-1-amine is sourced from PubChem (CID 142705526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).