2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid

C25H35NO4S — CID 19098496

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid

2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid (PubChem CID 19098496) has the molecular formula C25H35NO4S and a molecular weight of 445.63 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid
• PubChem CID: 19098496
• Molecular Formula: C25H35NO4S
• Molecular Weight: 445.63 g/mol
• Exact Mass: 445.23
• IUPAC Name: 2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid
• SMILES: COc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)CCC2.CS(=O)(=O)O
• InChI: InChI=1S/C24H31NO.CH4O3S/c1-25(15-14-18-12-13-19-6-3-7-20(19)16-18)17-21-8-4-10-23-22(21)9-5-11-24(23)26-2;1-5(2,3)4/h5,9,11-13,16,21H,3-4,6-8,10,14-15,17H2,1-2H3;1H3,(H,2,3,4)
• InChIKey: ORUVYAXRHYJPFF-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.63
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid?

The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid (CID 19098496) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid.

What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid?

The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid is COc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)CCC2.CS(=O)(=O)O.

What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid?

The InChIKey is ORUVYAXRHYJPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO.CH4O3S/c1-25(15-14-18-12-13-19-6-3-7-20(19)16-18)17-21-8-4-10-23-22(21)9-5-11-24(23)26-2;1-5(2,3)4/h5,9,11-13,16,21H,3-4,6-8,10,14-15,17H2,1-2H3;1H3,(H,2,3,4).

What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid?

2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid has a molecular weight of 445.63 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methylethanamine;methanesulfonic acid is sourced from PubChem (CID 19098496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).