2-(5-chloro-1-methylindazol-3-yl)oxyethanamine

C10H12ClN3O — CID 84690166

IUPAC2-(5-chloro-1-methylindazol-3-yl)oxyethanamine
SMILESCn1nc(OCCN)c2cc(Cl)ccc21
InChIInChI=1S/C10H12ClN3O/c1-14-9-3-2-7(11)6-8(9)10(13-14)15-5-4-12/h2-3,6H,4-5,12H2,1H3
InChIKeyBOEOQABHHGHNFL-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.56
Rot. Bonds3

About 2-(5-chloro-1-methylindazol-3-yl)oxyethanamine

2-(5-chloro-1-methylindazol-3-yl)oxyethanamine (PubChem CID 84690166) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 2-(5-chloro-1-methylindazol-3-yl)oxyethanamine.

Molecular Properties

Compound Name2-(5-chloro-1-methylindazol-3-yl)oxyethanamine
PubChem CID84690166
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name2-(5-chloro-1-methylindazol-3-yl)oxyethanamine
SMILESCn1nc(OCCN)c2cc(Cl)ccc21
InChIInChI=1S/C10H12ClN3O/c1-14-9-3-2-7(11)6-8(9)10(13-14)15-5-4-12/h2-3,6H,4-5,12H2,1H3
InChIKeyBOEOQABHHGHNFL-UHFFFAOYSA-N
XLogP1.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-1-methylindazol-3-yl)propan-1-amine
CID 57140660
(1-methyl-3-propoxyindazol-6-yl)methanamine
CID 112757825
5-chloro-3-(3-chlorophenyl)-1-methylindazole
CID 166430746
2-(1-methyl-3-propoxyindazol-5-yl)sulfanylacetic acid
CID 112757871
(3-chloro-1-methylindazol-5-yl)methanamine
CID 83446741
5-chloro-1-[(4-chlorophenyl)methyl]-3-[3-[(3S)-3-fluoropyrrolidin-1-yl]propoxy]indazole
CID 70852749
4-(5-bromo-1-methylindazol-3-yl)oxy-N-(2-methoxyethyl)butanamide
CID 100820914
2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine
CID 84662341
N-(3-ethoxy-1-methylindazol-5-yl)propane-1-sulfonamide
CID 100830870
3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide
CID 100820954
5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole
CID 142316628
6-chloro-4-ethoxy-2-propylphthalazin-1-one
CID 59987100

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylindazol-3-yl)oxyethanamine?
The IUPAC name of 2-(5-chloro-1-methylindazol-3-yl)oxyethanamine (CID 84690166) is 2-(5-chloro-1-methylindazol-3-yl)oxyethanamine.
What is the SMILES notation for 2-(5-chloro-1-methylindazol-3-yl)oxyethanamine?
The canonical SMILES for 2-(5-chloro-1-methylindazol-3-yl)oxyethanamine is Cn1nc(OCCN)c2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-methylindazol-3-yl)oxyethanamine?
The InChIKey is BOEOQABHHGHNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-14-9-3-2-7(11)6-8(9)10(13-14)15-5-4-12/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 2-(5-chloro-1-methylindazol-3-yl)oxyethanamine?
2-(5-chloro-1-methylindazol-3-yl)oxyethanamine has a molecular weight of 225.68 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylindazol-3-yl)oxyethanamine is sourced from PubChem (CID 84690166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).