N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

C16H22FN3O — CID 107447060

IUPACN-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccc(-n2cncc2CNC(C)(C)C)cc1F
InChIInChI=1S/C16H22FN3O/c1-5-21-15-7-6-12(8-14(15)17)20-11-18-9-13(20)10-19-16(2,3)4/h6-9,11,19H,5,10H2,1-4H3
InChIKeyIBFQOBZJMIESPS-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.30
Rot. Bonds5

About N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107447060) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID107447060
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccc(-n2cncc2CNC(C)(C)C)cc1F
InChIInChI=1S/C16H22FN3O/c1-5-21-15-7-6-12(8-14(15)17)20-11-18-9-13(20)10-19-16(2,3)4/h6-9,11,19H,5,10H2,1-4H3
InChIKeyIBFQOBZJMIESPS-UHFFFAOYSA-N
XLogP3.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107447047
N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446918
N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446904
2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107446913
2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447022
N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446928
N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446960
1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943687
2-methyl-N-[[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447025
4-ethoxy-3-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115743266
tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate
CID 112754022
1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106579932

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 107447060) is N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is CCOc1ccc(-n2cncc2CNC(C)(C)C)cc1F.
What is the InChIKey of N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is IBFQOBZJMIESPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-5-21-15-7-6-12(8-14(15)17)20-11-18-9-13(20)10-19-16(2,3)4/h6-9,11,19H,5,10H2,1-4H3.
What are the key properties of N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107447060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).