[2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine

C18H20FN3O3 — CID 69114050

IUPAC[2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine
SMILESCOC(Cc1[nH]nc2ccc(Oc3ccc(F)cc3CN)cc12)OC
InChIInChI=1S/C18H20FN3O3/c1-23-18(24-2)9-16-14-8-13(4-5-15(14)21-22-16)25-17-6-3-12(19)7-11(17)10-20/h3-8,18H,9-10,20H2,1-2H3,(H,21,22)
InChIKeySAEATPSIUGDZPX-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.11
Rot. Bonds7

About [2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine

[2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine (PubChem CID 69114050) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is [2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine
PubChem CID69114050
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name[2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine
SMILESCOC(Cc1[nH]nc2ccc(Oc3ccc(F)cc3CN)cc12)OC
InChIInChI=1S/C18H20FN3O3/c1-23-18(24-2)9-16-14-8-13(4-5-15(14)21-22-16)25-17-6-3-12(19)7-11(17)10-20/h3-8,18H,9-10,20H2,1-2H3,(H,21,22)
InChIKeySAEATPSIUGDZPX-UHFFFAOYSA-N
XLogP3.11
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(5-fluoro-2H-indazol-3-yl)propan-2-amine
CID 92670275
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
1-(6-fluoro-2H-indazol-3-yl)propan-2-amine
CID 83907519
[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 55031409
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine
CID 43314084
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373
1-(6-methoxy-2H-indazol-3-yl)propan-2-amine
CID 83908741
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
CID 115492190
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63802435
[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 63673150

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine (CID 69114050) is [2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine is COC(Cc1[nH]nc2ccc(Oc3ccc(F)cc3CN)cc12)OC.
What is the InChIKey of [2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine?
The InChIKey is SAEATPSIUGDZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-23-18(24-2)9-16-14-8-13(4-5-15(14)21-22-16)25-17-6-3-12(19)7-11(17)10-20/h3-8,18H,9-10,20H2,1-2H3,(H,21,22).
What are the key properties of [2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine?
[2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine has a molecular weight of 345.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(2,2-dimethoxyethyl)-2H-indazol-5-yl]oxy]-5-fluorophenyl]methanamine is sourced from PubChem (CID 69114050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).