2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine

C15H19N3O — CID 71387527

IUPAC2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c(c1)CCc1cn[nH]c1-2
InChIInChI=1S/C15H19N3O/c1-18(2)7-8-19-13-5-6-14-11(9-13)3-4-12-10-16-17-15(12)14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyLKJQQGAHVVRFBG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.12
Rot. Bonds4

About 2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine

2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine (PubChem CID 71387527) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine
PubChem CID71387527
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c(c1)CCc1cn[nH]c1-2
InChIInChI=1S/C15H19N3O/c1-18(2)7-8-19-13-5-6-14-11(9-13)3-4-12-10-16-17-15(12)14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyLKJQQGAHVVRFBG-UHFFFAOYSA-N
XLogP2.12
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine (CID 71387527) is 2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine is CN(C)CCOc1ccc2c(c1)CCc1cn[nH]c1-2.
What is the InChIKey of 2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine?
The InChIKey is LKJQQGAHVVRFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(2)7-8-19-13-5-6-14-11(9-13)3-4-12-10-16-17-15(12)14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine?
2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-benzo[g]indazol-7-yloxy)-N,N-dimethylethanamine is sourced from PubChem (CID 71387527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).