N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine

C15H20FN3 — CID 106533182

IUPACN-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine
SMILESCCCc1nccn1-c1cc(F)cc(CNCC)c1
InChIInChI=1S/C15H20FN3/c1-3-5-15-18-6-7-19(15)14-9-12(11-17-4-2)8-13(16)10-14/h6-10,17H,3-5,11H2,1-2H3
InChIKeyREVSMFFUANZLRX-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.07
Rot. Bonds6

About N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine

N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine (PubChem CID 106533182) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine
PubChem CID106533182
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine
SMILESCCCc1nccn1-c1cc(F)cc(CNCC)c1
InChIInChI=1S/C15H20FN3/c1-3-5-15-18-6-7-19(15)14-9-12(11-17-4-2)8-13(16)10-14/h6-10,17H,3-5,11H2,1-2H3
InChIKeyREVSMFFUANZLRX-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533180
N-[[3-fluoro-5-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527311
1-[3-(chloromethyl)phenyl]-2-propylimidazole
CID 112594438
N-[[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79701330
N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 105406336
N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 106533126
N-[[3-fluoro-5-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]ethanamine
CID 106533962
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylimidazole
CID 107086160
N-[[3-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 106533150
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81145300
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81145297
N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 106532936

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine (CID 106533182) is N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine is CCCc1nccn1-c1cc(F)cc(CNCC)c1.
What is the InChIKey of N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine?
The InChIKey is REVSMFFUANZLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-5-15-18-6-7-19(15)14-9-12(11-17-4-2)8-13(16)10-14/h6-10,17H,3-5,11H2,1-2H3.
What are the key properties of N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine?
N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 106533182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).