6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine

C16H15Cl2N3O2 — CID 129308232

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine
SMILESCNc1n[nH]c2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc12
InChIInChI=1S/C16H15Cl2N3O2/c1-19-16-9-5-4-8(6-10(9)20-21-16)13-14(17)11(22-2)7-12(23-3)15(13)18/h4-7H,1-3H3,(H2,19,20,21)
InChIKeyLMHYNMGCLIEHHH-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.60
Rot. Bonds4

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine

6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine (PubChem CID 129308232) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine
PubChem CID129308232
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine
SMILESCNc1n[nH]c2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc12
InChIInChI=1S/C16H15Cl2N3O2/c1-19-16-9-5-4-8(6-10(9)20-21-16)13-14(17)11(22-2)7-12(23-3)15(13)18/h4-7H,1-3H3,(H2,19,20,21)
InChIKeyLMHYNMGCLIEHHH-UHFFFAOYSA-N
XLogP4.60
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine (CID 129308232) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine is CNc1n[nH]c2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)ccc12.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine?
The InChIKey is LMHYNMGCLIEHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-19-16-9-5-4-8(6-10(9)20-21-16)13-14(17)11(22-2)7-12(23-3)15(13)18/h4-7H,1-3H3,(H2,19,20,21).
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine has a molecular weight of 352.22 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-methyl-1H-indazol-3-amine is sourced from PubChem (CID 129308232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).