4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

C₁₂H₁₆ClNO₂ — CID 63631151

About 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 63631151) has the molecular formula C₁₂H₁₆ClNO₂ and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

• Compound Name: 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
• PubChem CID: 63631151
• Molecular Formula: C₁₂H₁₆ClNO₂
• Molecular Weight: 241.72 g/mol
• Exact Mass: 241.09
• IUPAC Name: 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
• SMILES: CNC1CCc2c1cc(OC)c(OC)c2Cl
• InChI: InChI=1S/C12H16ClNO2/c1-14-9-5-4-7-8(9)6-10(15-2)12(16-3)11(7)13/h6,9,14H,4-5H2,1-3H3
• InChIKey: SEDCYASUDMKVBI-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.72
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?

The IUPAC name of 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 63631151) is 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.

What is the SMILES notation for 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?

The canonical SMILES for 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2c1cc(OC)c(OC)c2Cl.

What is the InChIKey of 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?

The InChIKey is SEDCYASUDMKVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-14-9-5-4-7-8(9)6-10(15-2)12(16-3)11(7)13/h6,9,14H,4-5H2,1-3H3.

What are the key properties of 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?

4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 241.72 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63631151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63631151 — identifiers, structure, computed properties (public domain)

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