1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine

C14H18FN3 — CID 61404968

IUPAC1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine
SMILESCCc1nccn1-c1ccc(C(C)NC)cc1F
InChIInChI=1S/C14H18FN3/c1-4-14-17-7-8-18(14)13-6-5-11(9-12(13)15)10(2)16-3/h5-10,16H,4H2,1-3H3
InChIKeyVVIUQYKWDAKFCW-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.85
Rot. Bonds4

About 1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine

1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine (PubChem CID 61404968) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine
PubChem CID61404968
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine
SMILESCCc1nccn1-c1ccc(C(C)NC)cc1F
InChIInChI=1S/C14H18FN3/c1-4-14-17-7-8-18(14)13-6-5-11(9-12(13)15)10(2)16-3/h5-10,16H,4H2,1-3H3
InChIKeyVVIUQYKWDAKFCW-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine 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

(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
CID 55182802
4-(2-ethylimidazol-1-yl)-3-fluoroaniline
CID 19627195
N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63071538
1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine
CID 61405160
1-[4-(chloromethyl)-2-fluorophenyl]-2-ethylimidazole
CID 61405637
1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine
CID 43284384
1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 114527299
1-[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 63816962
1-[2-(bromomethyl)-4-chlorophenyl]-2-ethylimidazole
CID 107085942
1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine
CID 43825683
1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine
CID 81150062
methyl N-cyano-N'-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]carbamimidothioate
CID 169362701

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine (CID 61404968) is 1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine is CCc1nccn1-c1ccc(C(C)NC)cc1F.
What is the InChIKey of 1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine?
The InChIKey is VVIUQYKWDAKFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-4-14-17-7-8-18(14)13-6-5-11(9-12(13)15)10(2)16-3/h5-10,16H,4H2,1-3H3.
What are the key properties of 1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine?
1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 61404968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).