1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol

C15H18F3N3O2 — CID 110898444

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCN(Cc1nccn1C(F)F)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H18F3N3O2/c1-20(9-14-19-6-7-21(14)15(17)18)8-12(22)10-23-13-4-2-11(16)3-5-13/h2-7,12,15,22H,8-10H2,1H3
InChIKeyPCVFUNYKDYFZNJ-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.29
Rot. Bonds8

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol

1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 110898444) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
PubChem CID110898444
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCN(Cc1nccn1C(F)F)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H18F3N3O2/c1-20(9-14-19-6-7-21(14)15(17)18)8-12(22)10-23-13-4-2-11(16)3-5-13/h2-7,12,15,22H,8-10H2,1H3
InChIKeyPCVFUNYKDYFZNJ-UHFFFAOYSA-N
XLogP2.29
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110019576
(2S)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-phenoxypropan-2-ol
CID 129455433
1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
CID 175691841
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110878823
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110929749
1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 4300673
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 55346663
1-(4-aminophenoxy)-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 43563910
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 134001793

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol (CID 110898444) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol is CN(Cc1nccn1C(F)F)CC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is PCVFUNYKDYFZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-20(9-14-19-6-7-21(14)15(17)18)8-12(22)10-23-13-4-2-11(16)3-5-13/h2-7,12,15,22H,8-10H2,1H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 329.32 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 110898444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).