2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine

C11H12FN3O — CID 117188387

IUPAC2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine
SMILESCn1c(N)cnc1COc1cccc(F)c1
InChIInChI=1S/C11H12FN3O/c1-15-10(13)6-14-11(15)7-16-9-4-2-3-8(12)5-9/h2-6H,7,13H2,1H3
InChIKeyFXSICFHFQZHCJU-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.72
Rot. Bonds3

About 2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine

2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine (PubChem CID 117188387) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine
PubChem CID117188387
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine
SMILESCn1c(N)cnc1COc1cccc(F)c1
InChIInChI=1S/C11H12FN3O/c1-15-10(13)6-14-11(15)7-16-9-4-2-3-8(12)5-9/h2-6H,7,13H2,1H3
InChIKeyFXSICFHFQZHCJU-UHFFFAOYSA-N
XLogP1.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole
CID 117188384
3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
CID 117188645
2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188413
2-[(3-bromophenoxy)methyl]-1,5-dimethylimidazole
CID 117188386
1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 117188379
2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine
CID 117187295
3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117257148
3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine
CID 117171340
5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole
CID 60667995
5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
CID 117188397
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
3-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazole
CID 21165100

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine (CID 117188387) is 2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine is Cn1c(N)cnc1COc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine?
The InChIKey is FXSICFHFQZHCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-10(13)6-14-11(15)7-16-9-4-2-3-8(12)5-9/h2-6H,7,13H2,1H3.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine?
2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine has a molecular weight of 221.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine is sourced from PubChem (CID 117188387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).