[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine

C15H17N3O2 — CID 62298154

IUPAC[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine
SMILESCC1(C)Cc2cccc(Oc3ccc(CN)nn3)c2O1
InChIInChI=1S/C15H17N3O2/c1-15(2)8-10-4-3-5-12(14(10)20-15)19-13-7-6-11(9-16)17-18-13/h3-7H,8-9,16H2,1-2H3
InChIKeyLTCXUCPWRXAZFB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.44
Rot. Bonds3

About [6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine

[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine (PubChem CID 62298154) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine
PubChem CID62298154
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine
SMILESCC1(C)Cc2cccc(Oc3ccc(CN)nn3)c2O1
InChIInChI=1S/C15H17N3O2/c1-15(2)8-10-4-3-5-12(14(10)20-15)19-13-7-6-11(9-16)17-18-13/h3-7H,8-9,16H2,1-2H3
InChIKeyLTCXUCPWRXAZFB-UHFFFAOYSA-N
XLogP2.44
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1,3,4-thiadiazol-2-yl]methanamine
CID 80623639
[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-6-fluorophenyl]methanamine
CID 79516769
1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 62297979
5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine
CID 66234792
[3-chloro-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanamine
CID 63087179
[3-bromo-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanamine
CID 82785360
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid
CID 16789396
[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-fluorophenyl]methanamine
CID 102814467
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine
CID 80865011
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-iodopyrimidine
CID 113459432

Frequently Asked Questions

What is the IUPAC name of [6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine?
The IUPAC name of [6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine (CID 62298154) is [6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine.
What is the SMILES notation for [6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine?
The canonical SMILES for [6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine is CC1(C)Cc2cccc(Oc3ccc(CN)nn3)c2O1.
What is the InChIKey of [6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine?
The InChIKey is LTCXUCPWRXAZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(2)8-10-4-3-5-12(14(10)20-15)19-13-7-6-11(9-16)17-18-13/h3-7H,8-9,16H2,1-2H3.
What are the key properties of [6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine?
[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine has a molecular weight of 271.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine is sourced from PubChem (CID 62298154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).