N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C11H16F3N3O — CID 66141607

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1cncn1C1CC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)7-18-4-3-15-5-10-6-16-8-17(10)9-1-2-9/h6,8-9,15H,1-5,7H2
InChIKeyVEPCFHOLIXYEOB-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.89
Rot. Bonds7

About N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 66141607) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID66141607
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1cncn1C1CC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)7-18-4-3-15-5-10-6-16-8-17(10)9-1-2-9/h6,8-9,15H,1-5,7H2
InChIKeyVEPCFHOLIXYEOB-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.89
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 N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 66141607) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1cncn1C1CC1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is VEPCFHOLIXYEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)7-18-4-3-15-5-10-6-16-8-17(10)9-1-2-9/h6,8-9,15H,1-5,7H2.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 263.26 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 66141607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).