N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine

C12H14FN3 — CID 106558438

IUPACN-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-3-14-12-15-9(2)8-16(12)11-6-4-5-10(13)7-11/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeySBRKFDCHAOMTAA-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.75
Rot. Bonds3

About N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine

N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine (PubChem CID 106558438) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine
PubChem CID106558438
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC NameN-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-3-14-12-15-9(2)8-16(12)11-6-4-5-10(13)7-11/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeySBRKFDCHAOMTAA-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine
CID 106566744
N-ethyl-4-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106568290
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine
CID 107628425
1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559729
1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559811
N-ethyl-4-methyl-1-(1-methylpyrazol-4-yl)imidazol-2-amine
CID 106562115
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546
1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106556858
1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine
CID 106566998
1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106583317
4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707
4-methyl-N-propan-2-yl-1-(3-propan-2-ylphenyl)imidazol-2-amine
CID 106560995

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine (CID 106558438) is N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine is CCNc1nc(C)cn1-c1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine?
The InChIKey is SBRKFDCHAOMTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-3-14-12-15-9(2)8-16(12)11-6-4-5-10(13)7-11/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine?
N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine has a molecular weight of 219.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106558438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).