4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine

C17H19FN2O — CID 166283688

IUPAC4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(C(C)NC2CCc3c(F)cccc32)cn1
InChIInChI=1S/C17H19FN2O/c1-11(12-6-9-17(21-2)19-10-12)20-16-8-7-13-14(16)4-3-5-15(13)18/h3-6,9-11,16,20H,7-8H2,1-2H3
InChIKeyBVYKSSCZLNUVSG-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.57
Rot. Bonds4

About 4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 166283688) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID166283688
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(C(C)NC2CCc3c(F)cccc32)cn1
InChIInChI=1S/C17H19FN2O/c1-11(12-6-9-17(21-2)19-10-12)20-16-8-7-13-14(16)4-3-5-15(13)18/h3-6,9-11,16,20H,7-8H2,1-2H3
InChIKeyBVYKSSCZLNUVSG-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 166283688) is 4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc(C(C)NC2CCc3c(F)cccc32)cn1.
What is the InChIKey of 4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BVYKSSCZLNUVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11(12-6-9-17(21-2)19-10-12)20-16-8-7-13-14(16)4-3-5-15(13)18/h3-6,9-11,16,20H,7-8H2,1-2H3.
What are the key properties of 4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 286.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 166283688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).