4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine

C14H13FN2 — CID 114081111

IUPAC4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(-c3ccncc3F)cccc21
InChIInChI=1S/C14H13FN2/c15-13-8-17-7-6-11(13)9-2-1-3-12-10(9)4-5-14(12)16/h1-3,6-8,14H,4-5,16H2
InChIKeyHCTCRJSAUVSKFC-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.83
Rot. Bonds1

About 4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine

4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114081111) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID114081111
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC Name4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(-c3ccncc3F)cccc21
InChIInChI=1S/C14H13FN2/c15-13-8-17-7-6-11(13)9-2-1-3-12-10(9)4-5-14(12)16/h1-3,6-8,14H,4-5,16H2
InChIKeyHCTCRJSAUVSKFC-UHFFFAOYSA-N
XLogP2.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine (CID 114081111) is 4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine is NC1CCc2c(-c3ccncc3F)cccc21.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HCTCRJSAUVSKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2/c15-13-8-17-7-6-11(13)9-2-1-3-12-10(9)4-5-14(12)16/h1-3,6-8,14H,4-5,16H2.
What are the key properties of 4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine?
4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 228.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114081111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).