2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine

C18H20ClN3 — CID 11688223

IUPAC2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1=C(Cc2cccnn2)c2ccc(Cl)cc2C1
InChIInChI=1S/C18H20ClN3/c1-22(2)9-7-13-10-14-11-15(19)5-6-17(14)18(13)12-16-4-3-8-20-21-16/h3-6,8,11H,7,9-10,12H2,1-2H3
InChIKeyRJAXVZUSTIFVGP-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.63
Rot. Bonds5

About 2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine

2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine (PubChem CID 11688223) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
PubChem CID11688223
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1=C(Cc2cccnn2)c2ccc(Cl)cc2C1
InChIInChI=1S/C18H20ClN3/c1-22(2)9-7-13-10-14-11-15(19)5-6-17(14)18(13)12-16-4-3-8-20-21-16/h3-6,8,11H,7,9-10,12H2,1-2H3
InChIKeyRJAXVZUSTIFVGP-UHFFFAOYSA-N
XLogP3.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

NBI-2 (non-labeled)
CID 11702115
N,N-dimethyl-2-(3-(pyridazin-3-ylmethyl)-1H-inden-2-yl)ethanamine
CID 46884640
Tributyl-[3-(4-chlorophenyl)pyridazin-4-yl]stannane
CID 15362141
6-Chloro-1-o-tolylphthalazine
CID 68452685
5-Chloro-3-phenylpyridazine
CID 71818646
5-Chloro-3-(3-chloro-4-fluoro-phenyl)-pyridazine
CID 22240223
Nbi-2
CID 25265811
6-Chloro-1-(2-fluoropropan-2-yl)phthalazine
CID 59726028
5-(4-Chlorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66963717
5-(4-Chloro-2-fluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66965205
3-[[2-[2-(2,5-dihydropyrrol-1-yl)ethyl]-5-fluoro-3H-inden-1-yl]methyl]pyridazine
CID 69730073
3-[1-[2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-3H-inden-1-yl]ethyl]pyridazine
CID 69772151

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine (CID 11688223) is 2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine is CN(C)CCC1=C(Cc2cccnn2)c2ccc(Cl)cc2C1.
What is the InChIKey of 2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
The InChIKey is RJAXVZUSTIFVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3/c1-22(2)9-7-13-10-14-11-15(19)5-6-17(14)18(13)12-16-4-3-8-20-21-16/h3-6,8,11H,7,9-10,12H2,1-2H3.
What are the key properties of 2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine?
2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine has a molecular weight of 313.83 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 11688223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).