N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine

C9H15F2N3O — CID 102697996

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O/c1-7(15-2)5-12-6-8-13-3-4-14(8)9(10)11/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyJJPBDYDBHNAJSC-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.40
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine (PubChem CID 102697996) has the molecular formula C9H15F2N3O and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine
PubChem CID102697996
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine
SMILESCOC(C)CNCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O/c1-7(15-2)5-12-6-8-13-3-4-14(8)9(10)11/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyJJPBDYDBHNAJSC-UHFFFAOYSA-N
XLogP1.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.40
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]-2-methoxypropan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine (CID 102697996) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine is COC(C)CNCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine?
The InChIKey is JJPBDYDBHNAJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-7(15-2)5-12-6-8-13-3-4-14(8)9(10)11/h3-4,7,9,12H,5-6H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine has a molecular weight of 219.24 g/mol, XLogP of 1.40, 6 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]-2-methoxypropan-1-amine is sourced from PubChem (CID 102697996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).