N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C16H22FN3O — CID 106564571

IUPACN-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NC(C)c1ccccc1F
InChIInChI=1S/C16H22FN3O/c1-11-9-20(12(2)10-21-4)16(18-11)19-13(3)14-7-5-6-8-15(14)17/h5-9,12-13H,10H2,1-4H3,(H,18,19)
InChIKeyIBZGQLBLHQHOGC-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.71
Rot. Bonds6

About N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106564571) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106564571
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NC(C)c1ccccc1F
InChIInChI=1S/C16H22FN3O/c1-11-9-20(12(2)10-21-4)16(18-11)19-13(3)14-7-5-6-8-15(14)17/h5-9,12-13H,10H2,1-4H3,(H,18,19)
InChIKeyIBZGQLBLHQHOGC-UHFFFAOYSA-N
XLogP3.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxypropan-2-yl)-4-methyl-N-[1-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106567416
N-[1-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106564579
N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106565787
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
N-(2-chloro-6-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106582325
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
N-(4-fluoro-3-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583313
N-(3,5-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106559723
N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574062
N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106560747
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106564571) is N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)n1cc(C)nc1NC(C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is IBZGQLBLHQHOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-11-9-20(12(2)10-21-4)16(18-11)19-13(3)14-7-5-6-8-15(14)17/h5-9,12-13H,10H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 291.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106564571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).