2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride

C16H18Cl2FN3O2 — CID 68781596

IUPAC2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.NCc1cc(F)ccc1Oc1ccc2c(cnn2CCO)c1
InChIInChI=1S/C16H16FN3O2.2ClH/c17-13-1-4-16(11(7-13)9-18)22-14-2-3-15-12(8-14)10-19-20(15)5-6-21;;/h1-4,7-8,10,21H,5-6,9,18H2;2*1H
InChIKeyPCYDPZQPDOSGLM-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.26
Rot. Bonds5

About 2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride

2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride (PubChem CID 68781596) has the molecular formula C16H18Cl2FN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride
PubChem CID68781596
Molecular FormulaC16H18Cl2FN3O2
Molecular Weight374.24 g/mol
Exact Mass373.08
IUPAC Name2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.NCc1cc(F)ccc1Oc1ccc2c(cnn2CCO)c1
InChIInChI=1S/C16H16FN3O2.2ClH/c17-13-1-4-16(11(7-13)9-18)22-14-2-3-15-12(8-14)10-19-20(15)5-6-21;;/h1-4,7-8,10,21H,5-6,9,18H2;2*1H
InChIKeyPCYDPZQPDOSGLM-UHFFFAOYSA-N
XLogP3.26
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride?
The IUPAC name of 2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride (CID 68781596) is 2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride?
The canonical SMILES for 2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride is Cl.Cl.NCc1cc(F)ccc1Oc1ccc2c(cnn2CCO)c1.
What is the InChIKey of 2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride?
The InChIKey is PCYDPZQPDOSGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2.2ClH/c17-13-1-4-16(11(7-13)9-18)22-14-2-3-15-12(8-14)10-19-20(15)5-6-21;;/h1-4,7-8,10,21H,5-6,9,18H2;2*1H.
What are the key properties of 2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride?
2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride has a molecular weight of 374.24 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(aminomethyl)-4-fluorophenoxy]indazol-1-yl]ethanol;dihydrochloride is sourced from PubChem (CID 68781596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).