2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine

C14H17F2N3O — CID 114708064

IUPAC2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1-c1ccccc1OC(F)F
InChIInChI=1S/C14H17F2N3O/c1-14(2,17-3)12-8-18-9-19(12)10-6-4-5-7-11(10)20-13(15)16/h4-9,13,17H,1-3H3
InChIKeyAAEYAZRZHDVYNW-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.93
Rot. Bonds5

About 2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine

2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114708064) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114708064
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1-c1ccccc1OC(F)F
InChIInChI=1S/C14H17F2N3O/c1-14(2,17-3)12-8-18-9-19(12)10-6-4-5-7-11(10)20-13(15)16/h4-9,13,17H,1-3H3
InChIKeyAAEYAZRZHDVYNW-UHFFFAOYSA-N
XLogP2.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-(difluoromethoxy)phenyl]imidazole-4-carboxylate
CID 155342529
2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114707996
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708232
2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107590634
4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
CID 114708243
N-methyl-2-(3-propan-2-ylimidazol-4-yl)propan-2-amine
CID 114708057
N-methyl-2-[3-(2-phenylpropyl)imidazol-4-yl]propan-2-amine
CID 114708451
2-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708092
4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile
CID 107795786
1-[2-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856288
1-[2-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 63000114
2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708000

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine (CID 114708064) is 2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1-c1ccccc1OC(F)F.
What is the InChIKey of 2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is AAEYAZRZHDVYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-14(2,17-3)12-8-18-9-19(12)10-6-4-5-7-11(10)20-13(15)16/h4-9,13,17H,1-3H3.
What are the key properties of 2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 281.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114708064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).