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

C15H19F2N3O — CID 60879959

IUPAC4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(OCc2nccn2C(F)F)cc1
InChIInChI=1S/C15H19F2N3O/c1-11(18)2-3-12-4-6-13(7-5-12)21-10-14-19-8-9-20(14)15(16)17/h4-9,11,15H,2-3,10,18H2,1H3
InChIKeyRFSUCWINWPYBHA-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.14
Rot. Bonds7

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

4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine (PubChem CID 60879959) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
PubChem CID60879959
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
SMILESCC(N)CCc1ccc(OCc2nccn2C(F)F)cc1
InChIInChI=1S/C15H19F2N3O/c1-11(18)2-3-12-4-6-13(7-5-12)21-10-14-19-8-9-20(14)15(16)17/h4-9,11,15H,2-3,10,18H2,1H3
InChIKeyRFSUCWINWPYBHA-UHFFFAOYSA-N
XLogP3.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
CID 115494550
4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine
CID 62737524
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
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
CID 43112135
[5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2-pyridinyl]methanamine
CID 79788216
4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
CID 64772318
1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
CID 81421392
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]-1,3-thiazole
CID 75424823
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine?
The IUPAC name of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine (CID 60879959) is 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine?
The canonical SMILES for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine is CC(N)CCc1ccc(OCc2nccn2C(F)F)cc1.
What is the InChIKey of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine?
The InChIKey is RFSUCWINWPYBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-11(18)2-3-12-4-6-13(7-5-12)21-10-14-19-8-9-20(14)15(16)17/h4-9,11,15H,2-3,10,18H2,1H3.
What are the key properties of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine?
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine has a molecular weight of 295.33 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 60879959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).