N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine

C12H19F2N3O — CID 103769021

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine
SMILESCC(NCc1nccn1C(F)F)C1CCOCC1
InChIInChI=1S/C12H19F2N3O/c1-9(10-2-6-18-7-3-10)16-8-11-15-4-5-17(11)12(13)14/h4-5,9-10,12,16H,2-3,6-8H2,1H3
InChIKeyZOEPYZYTZUCTFO-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.18
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine (PubChem CID 103769021) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine
PubChem CID103769021
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine
SMILESCC(NCc1nccn1C(F)F)C1CCOCC1
InChIInChI=1S/C12H19F2N3O/c1-9(10-2-6-18-7-3-10)16-8-11-15-4-5-17(11)12(13)14/h4-5,9-10,12,16H,2-3,6-8H2,1H3
InChIKeyZOEPYZYTZUCTFO-UHFFFAOYSA-N
XLogP2.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine (CID 103769021) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine is CC(NCc1nccn1C(F)F)C1CCOCC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is ZOEPYZYTZUCTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-9(10-2-6-18-7-3-10)16-8-11-15-4-5-17(11)12(13)14/h4-5,9-10,12,16H,2-3,6-8H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 259.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 103769021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).