N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine

C16H22FN3 — CID 63975615

IUPACN-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2nccn2CCC)cc1F
InChIInChI=1S/C16H22FN3/c1-3-7-18-12-14-6-5-13(11-15(14)17)16-19-8-10-20(16)9-4-2/h5-6,8,10-11,18H,3-4,7,9,12H2,1-2H3
InChIKeyBMYCQOMDBURCAR-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.60
Rot. Bonds7

About N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine

N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine (PubChem CID 63975615) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
PubChem CID63975615
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2nccn2CCC)cc1F
InChIInChI=1S/C16H22FN3/c1-3-7-18-12-14-6-5-13(11-15(14)17)16-19-8-10-20(16)9-4-2/h5-6,8,10-11,18H,3-4,7,9,12H2,1-2H3
InChIKeyBMYCQOMDBURCAR-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine (CID 63975615) is N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2nccn2CCC)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine?
The InChIKey is BMYCQOMDBURCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-3-7-18-12-14-6-5-13(11-15(14)17)16-19-8-10-20(16)9-4-2/h5-6,8,10-11,18H,3-4,7,9,12H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine?
N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63975615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).