N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine

C15H18FN3 — CID 61405500

IUPACN-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCCc1nccn1-c1ccc(F)cc1CNC1CC1
InChIInChI=1S/C15H18FN3/c1-2-15-17-7-8-19(15)14-6-3-12(16)9-11(14)10-18-13-4-5-13/h3,6-9,13,18H,2,4-5,10H2,1H3
InChIKeySOJFAYZTZVPLLU-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.83
Rot. Bonds5

About N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine

N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 61405500) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID61405500
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCCc1nccn1-c1ccc(F)cc1CNC1CC1
InChIInChI=1S/C15H18FN3/c1-2-15-17-7-8-19(15)14-6-3-12(16)9-11(14)10-18-13-4-5-13/h3,6-9,13,18H,2,4-5,10H2,1H3
InChIKeySOJFAYZTZVPLLU-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine 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

N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533180
1-[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 63816962
N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854661
N-[[1-[(2-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 55048857
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62490188
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43282179
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 63634984
N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43314018
2-(2-ethylimidazol-1-yl)-5-fluorobenzamide
CID 63810233
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 115560640
4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-3,3-dimethylpiperazin-2-one
CID 63605987
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine (CID 61405500) is N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine is CCc1nccn1-c1ccc(F)cc1CNC1CC1.
What is the InChIKey of N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is SOJFAYZTZVPLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-2-15-17-7-8-19(15)14-6-3-12(16)9-11(14)10-18-13-4-5-13/h3,6-9,13,18H,2,4-5,10H2,1H3.
What are the key properties of N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 259.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61405500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).