N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine

C16H20FN3 — CID 166310142

IUPACN-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)CNC(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3/c1-3-13(2)10-19-16(11-20-9-8-18-12-20)14-4-6-15(17)7-5-14/h3-9,12-13,16,19H,1,10-11H2,2H3
InChIKeyDURHBBAVGBCHLS-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.18
Rot. Bonds7

About N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine

N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine (PubChem CID 166310142) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine
PubChem CID166310142
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)CNC(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3/c1-3-13(2)10-19-16(11-20-9-8-18-12-20)14-4-6-15(17)7-5-14/h3-9,12-13,16,19H,1,10-11H2,2H3
InChIKeyDURHBBAVGBCHLS-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 166251781
1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 16787972
N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 166187485
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine
CID 43126715
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
5-[[[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]amino]methyl]-2-[(4-fluorophenyl)methyl]benzoic acid
CID 70157075
1-[4-(4-fluorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-ol
CID 70526340
(2R)-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-imidazol-1-ylpropan-2-amine
CID 95218898
N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 54958468
1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 83117213
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine (CID 166310142) is N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine is C=CC(C)CNC(Cn1ccnc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine?
The InChIKey is DURHBBAVGBCHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-3-13(2)10-19-16(11-20-9-8-18-12-20)14-4-6-15(17)7-5-14/h3-9,12-13,16,19H,1,10-11H2,2H3.
What are the key properties of N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine?
N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine has a molecular weight of 273.36 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine is sourced from PubChem (CID 166310142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).