1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine

C14H17F2N3O — CID 115494550

IUPAC1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2nccn2C(F)F)cc1
InChIInChI=1S/C14H17F2N3O/c1-10(17)8-11-2-4-12(5-3-11)20-9-13-18-6-7-19(13)14(15)16/h2-7,10,14H,8-9,17H2,1H3
InChIKeyFIUITUQZMDMGBG-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.75
Rot. Bonds6

About 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine

1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine (PubChem CID 115494550) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
PubChem CID115494550
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2nccn2C(F)F)cc1
InChIInChI=1S/C14H17F2N3O/c1-10(17)8-11-2-4-12(5-3-11)20-9-13-18-6-7-19(13)14(15)16/h2-7,10,14H,8-9,17H2,1H3
InChIKeyFIUITUQZMDMGBG-UHFFFAOYSA-N
XLogP2.75
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
CID 60879959
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one
CID 115495324
2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole
CID 103606232
(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 55191156
1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114527270
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
CID 43112135
[5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2-pyridinyl]methanamine
CID 79788216
[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methanol
CID 43326932
1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
CID 81421392
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole
CID 75424823
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 117187741

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine (CID 115494550) is 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine is CC(N)Cc1ccc(OCc2nccn2C(F)F)cc1.
What is the InChIKey of 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine?
The InChIKey is FIUITUQZMDMGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-10(17)8-11-2-4-12(5-3-11)20-9-13-18-6-7-19(13)14(15)16/h2-7,10,14H,8-9,17H2,1H3.
What are the key properties of 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine?
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine has a molecular weight of 281.31 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 115494550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).