2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine

C18H21N3O — CID 3028873

IUPAC2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H21N3O/c1-20(2)12-13-22-18-16-10-6-7-11-17(16)21(19-18)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKeyYPCKAUKDLJKZNJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.03
Rot. Bonds6

About 2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine

2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine (PubChem CID 3028873) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine
PubChem CID3028873
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C18H21N3O/c1-20(2)12-13-22-18-16-10-6-7-11-17(16)21(19-18)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKeyYPCKAUKDLJKZNJ-UHFFFAOYSA-N
XLogP3.03
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine (CID 3028873) is 2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine is CN(C)CCOc1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine?
The InChIKey is YPCKAUKDLJKZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20(2)12-13-22-18-16-10-6-7-11-17(16)21(19-18)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3.
What are the key properties of 2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine?
2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine has a molecular weight of 295.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindazol-3-yl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 3028873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).