2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine

C19H21N3O — CID 90675207

IUPAC2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c3c(ccc2c1)-c1[nH]ncc1CC3
InChIInChI=1S/C19H21N3O/c1-22(2)9-10-23-15-5-8-16-13(11-15)3-7-18-17(16)6-4-14-12-20-21-19(14)18/h3,5,7-8,11-12H,4,6,9-10H2,1-2H3,(H,20,21)
InChIKeyTWRGARMXUJBWLF-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.27
Rot. Bonds4

About 2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine

2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine (PubChem CID 90675207) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine
PubChem CID90675207
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c3c(ccc2c1)-c1[nH]ncc1CC3
InChIInChI=1S/C19H21N3O/c1-22(2)9-10-23-15-5-8-16-13(11-15)3-7-18-17(16)6-4-14-12-20-21-19(14)18/h3,5,7-8,11-12H,4,6,9-10H2,1-2H3,(H,20,21)
InChIKeyTWRGARMXUJBWLF-UHFFFAOYSA-N
XLogP3.27
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine (CID 90675207) is 2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine is CN(C)CCOc1ccc2c3c(ccc2c1)-c1[nH]ncc1CC3.
What is the InChIKey of 2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine?
The InChIKey is TWRGARMXUJBWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-22(2)9-10-23-15-5-8-16-13(11-15)3-7-18-17(16)6-4-14-12-20-21-19(14)18/h3,5,7-8,11-12H,4,6,9-10H2,1-2H3,(H,20,21).
What are the key properties of 2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine?
2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine has a molecular weight of 307.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,11-dihydro-3H-naphtho[1,2-g]indazol-7-yloxy)-N,N-dimethylethanamine is sourced from PubChem (CID 90675207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).