1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol

C17H19FN2O — CID 83110783

IUPAC1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(O)(c1ccc(F)cn1)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C17H19FN2O/c1-16(21,15-7-6-14(18)10-20-15)17(11-19)8-12-4-2-3-5-13(12)9-17/h2-7,10,21H,8-9,11,19H2,1H3
InChIKeyAYRVHSBNWFTHMF-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.17
Rot. Bonds3

About 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol

1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 83110783) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID83110783
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(O)(c1ccc(F)cn1)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C17H19FN2O/c1-16(21,15-7-6-14(18)10-20-15)17(11-19)8-12-4-2-3-5-13(12)9-17/h2-7,10,21H,8-9,11,19H2,1H3
InChIKeyAYRVHSBNWFTHMF-UHFFFAOYSA-N
XLogP2.17
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol (CID 83110783) is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol is CC(O)(c1ccc(F)cn1)C1(CN)Cc2ccccc2C1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is AYRVHSBNWFTHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-16(21,15-7-6-14(18)10-20-15)17(11-19)8-12-4-2-3-5-13(12)9-17/h2-7,10,21H,8-9,11,19H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol?
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 286.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 83110783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).