1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine

C15H18F3NO — CID 60707293

IUPAC1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)(F)Oc1ccc(CNCC2CC=CCC2)cc1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)20-14-8-6-13(7-9-14)11-19-10-12-4-2-1-3-5-12/h1-2,6-9,12,19H,3-5,10-11H2
InChIKeyLLHCINOFGCJWSI-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.03
Rot. Bonds5

About 1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine

1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 60707293) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID60707293
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)(F)Oc1ccc(CNCC2CC=CCC2)cc1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)20-14-8-6-13(7-9-14)11-19-10-12-4-2-1-3-5-12/h1-2,6-9,12,19H,3-5,10-11H2
InChIKeyLLHCINOFGCJWSI-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine (CID 60707293) is 1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine is FC(F)(F)Oc1ccc(CNCC2CC=CCC2)cc1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is LLHCINOFGCJWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)20-14-8-6-13(7-9-14)11-19-10-12-4-2-1-3-5-12/h1-2,6-9,12,19H,3-5,10-11H2.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 285.31 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 60707293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).