2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine

C13H21F2N3O — CID 55260495

IUPAC2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
SMILESFC(F)n1ccnc1CNCCOC1CCCCC1
InChIInChI=1S/C13H21F2N3O/c14-13(15)18-8-6-17-12(18)10-16-7-9-19-11-4-2-1-3-5-11/h6,8,11,13,16H,1-5,7,9-10H2
InChIKeyPPMOCCSZQVLTGF-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.72
Rot. Bonds7

About 2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine

2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine (PubChem CID 55260495) has the molecular formula C13H21F2N3O and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
PubChem CID55260495
Molecular FormulaC13H21F2N3O
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
SMILESFC(F)n1ccnc1CNCCOC1CCCCC1
InChIInChI=1S/C13H21F2N3O/c14-13(15)18-8-6-17-12(18)10-16-7-9-19-11-4-2-1-3-5-11/h6,8,11,13,16H,1-5,7,9-10H2
InChIKeyPPMOCCSZQVLTGF-UHFFFAOYSA-N
XLogP2.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine (CID 55260495) is 2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine is FC(F)n1ccnc1CNCCOC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine?
The InChIKey is PPMOCCSZQVLTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O/c14-13(15)18-8-6-17-12(18)10-16-7-9-19-11-4-2-1-3-5-11/h6,8,11,13,16H,1-5,7,9-10H2.
What are the key properties of 2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine?
2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine has a molecular weight of 273.33 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 55260495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).