2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine

C21H17FN2O — CID 164626989

IUPAC2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine
SMILESNCCOc1ncccc1C=C1c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C21H17FN2O/c22-15-7-8-18-16-5-1-2-6-17(16)19(20(18)13-15)12-14-4-3-10-24-21(14)25-11-9-23/h1-8,10,12-13H,9,11,23H2
InChIKeyWCVGRSPKTHQNCR-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.13
Rot. Bonds4

About 2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine

2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine (PubChem CID 164626989) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine
PubChem CID164626989
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine
SMILESNCCOc1ncccc1C=C1c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C21H17FN2O/c22-15-7-8-18-16-5-1-2-6-17(16)19(20(18)13-15)12-14-4-3-10-24-21(14)25-11-9-23/h1-8,10,12-13H,9,11,23H2
InChIKeyWCVGRSPKTHQNCR-UHFFFAOYSA-N
XLogP4.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine?
The IUPAC name of 2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine (CID 164626989) is 2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine.
What is the SMILES notation for 2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine?
The canonical SMILES for 2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine is NCCOc1ncccc1C=C1c2ccccc2-c2ccc(F)cc21.
What is the InChIKey of 2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine?
The InChIKey is WCVGRSPKTHQNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c22-15-7-8-18-16-5-1-2-6-17(16)19(20(18)13-15)12-14-4-3-10-24-21(14)25-11-9-23/h1-8,10,12-13H,9,11,23H2.
What are the key properties of 2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine?
2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine has a molecular weight of 332.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-fluorofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 164626989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).