4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine

C15H18FN3 — CID 81300652

IUPAC4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCCCn1ccnc1
InChIInChI=1S/C15H18FN3/c16-14-4-1-3-13-12(14)5-6-15(13)18-7-2-9-19-10-8-17-11-19/h1,3-4,8,10-11,15,18H,2,5-7,9H2
InChIKeyIAMZJDFLYUQINN-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.69
Rot. Bonds5

About 4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 81300652) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID81300652
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCCCn1ccnc1
InChIInChI=1S/C15H18FN3/c16-14-4-1-3-13-12(14)5-6-15(13)18-7-2-9-19-10-8-17-11-19/h1,3-4,8,10-11,15,18H,2,5-7,9H2
InChIKeyIAMZJDFLYUQINN-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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 4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine (CID 81300652) is 4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine is Fc1cccc2c1CCC2NCCCn1ccnc1.
What is the InChIKey of 4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IAMZJDFLYUQINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c16-14-4-1-3-13-12(14)5-6-15(13)18-7-2-9-19-10-8-17-11-19/h1,3-4,8,10-11,15,18H,2,5-7,9H2.
What are the key properties of 4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 259.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81300652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).