N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine

C15H18FN3 — CID 106533180

IUPACN-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCCc1nccn1-c1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C15H18FN3/c1-2-15-17-5-6-19(15)14-8-11(7-12(16)9-14)10-18-13-3-4-13/h5-9,13,18H,2-4,10H2,1H3
InChIKeyYILGBMWWLRIOLI-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.83
Rot. Bonds5

About N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine

N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 106533180) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID106533180
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCCc1nccn1-c1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C15H18FN3/c1-2-15-17-5-6-19(15)14-8-11(7-12(16)9-14)10-18-13-3-4-13/h5-9,13,18H,2-4,10H2,1H3
InChIKeyYILGBMWWLRIOLI-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

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Related Compounds

N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 106533126
N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 61405500
N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine
CID 106533182
N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine
CID 106533112
N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 106533217
N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532828
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43282179
N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533016
3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoro-N-methylaniline
CID 106532184
N-[[3-(3-ethoxypiperidin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532790
N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533057
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine (CID 106533180) is N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine is CCc1nccn1-c1cc(F)cc(CNC2CC2)c1.
What is the InChIKey of N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is YILGBMWWLRIOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-2-15-17-5-6-19(15)14-8-11(7-12(16)9-14)10-18-13-3-4-13/h5-9,13,18H,2-4,10H2,1H3.
What are the key properties of N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine?
N-[[3-(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-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106533180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).