1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine

C14H17F2N3O — CID 105011486

IUPAC1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1nccn1C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2N3O/c1-17-12(9-13-18-7-8-19(13)2)10-3-5-11(6-4-10)20-14(15)16/h3-8,12,14,17H,9H2,1-2H3
InChIKeyWVSOFLWKKJLQEM-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.52
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine

1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 105011486) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID105011486
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCNC(Cc1nccn1C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2N3O/c1-17-12(9-13-18-7-8-19(13)2)10-3-5-11(6-4-10)20-14(15)16/h3-8,12,14,17H,9H2,1-2H3
InChIKeyWVSOFLWKKJLQEM-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichlorophenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011597
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015149
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065279
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011259
1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011510
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
N-methyl-2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011558
1-[4-(difluoromethoxy)phenyl]-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030570
2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115787231
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196
1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106848789
1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316127

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine (CID 105011486) is 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine is CNC(Cc1nccn1C)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is WVSOFLWKKJLQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-17-12(9-13-18-7-8-19(13)2)10-3-5-11(6-4-10)20-14(15)16/h3-8,12,14,17H,9H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine?
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 281.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105011486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).