1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine

C12H14FN3 — CID 106562547

IUPAC1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine
SMILESCc1cn(CCc2cccc(F)c2)c(N)n1
InChIInChI=1S/C12H14FN3/c1-9-8-16(12(14)15-9)6-5-10-3-2-4-11(13)7-10/h2-4,7-8H,5-6H2,1H3,(H2,14,15)
InChIKeyCBMTUMDANILJIV-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.16
Rot. Bonds3

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

1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine (PubChem CID 106562547) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine
PubChem CID106562547
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine
SMILESCc1cn(CCc2cccc(F)c2)c(N)n1
InChIInChI=1S/C12H14FN3/c1-9-8-16(12(14)15-9)6-5-10-3-2-4-11(13)7-10/h2-4,7-8H,5-6H2,1H3,(H2,14,15)
InChIKeyCBMTUMDANILJIV-UHFFFAOYSA-N
XLogP2.16
TPSA43.84 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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-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

1-[2-(3-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
CID 43662152
1-[(4-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106558883
methyl 5-amino-1-[2-(3-fluorophenyl)ethyl]imidazole-4-carboxylate
CID 103544802
1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560922
1-[2-(3,5-difluorophenyl)ethyl]-N,4-dimethylimidazol-2-amine
CID 106570292
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55114963
1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106560953
6-[2-(3-fluorophenyl)ethyl]-4-methylpyridin-2-amine;methane
CID 145078015
3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078066
1-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106562530
N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560946
2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 143475083

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine (CID 106562547) is 1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine is Cc1cn(CCc2cccc(F)c2)c(N)n1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine?
The InChIKey is CBMTUMDANILJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9-8-16(12(14)15-9)6-5-10-3-2-4-11(13)7-10/h2-4,7-8H,5-6H2,1H3,(H2,14,15).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine?
1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine has a molecular weight of 219.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106562547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).