[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate

C30H46N2O4 — CID 144676719

About [6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate

[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate (PubChem CID 144676719) has the molecular formula C30H46N2O4 and a molecular weight of 498.71 g/mol. Its IUPAC name is [6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate.

Molecular Properties

• Compound Name: [6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate
• PubChem CID: 144676719
• Molecular Formula: C30H46N2O4
• Molecular Weight: 498.71 g/mol
• Exact Mass: 498.35
• IUPAC Name: [6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate
• SMILES: CC.COC=O.Cc1c(CN)c2c(c(C(C)OC(C)(C)C)c1-c1ccc3c(c1)CCCO3)CCCN2
• InChI: InChI=1S/C26H36N2O2.C2H4O2.C2H6/c1-16-21(15-27)25-20(9-6-12-28-25)24(17(2)30-26(3,4)5)23(16)19-10-11-22-18(14-19)8-7-13-29-22;1-4-2-3;1-2/h10-11,14,17,28H,6-9,12-13,15,27H2,1-5H3;2H,1H3;1-2H3
• InChIKey: KLFWWKRNRCJWIQ-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 82.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.71
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate?

The IUPAC name of [6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate (CID 144676719) is [6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate.

What is the SMILES notation for [6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate?

The canonical SMILES for [6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate is CC.COC=O.Cc1c(CN)c2c(c(C(C)OC(C)(C)C)c1-c1ccc3c(c1)CCCO3)CCCN2.

What is the InChIKey of [6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate?

The InChIKey is KLFWWKRNRCJWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2.C2H4O2.C2H6/c1-16-21(15-27)25-20(9-6-12-28-25)24(17(2)30-26(3,4)5)23(16)19-10-11-22-18(14-19)8-7-13-29-22;1-4-2-3;1-2/h10-11,14,17,28H,6-9,12-13,15,27H2,1-5H3;2H,1H3;1-2H3.

What are the key properties of [6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate?

[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate has a molecular weight of 498.71 g/mol, XLogP of 6.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2,3,4-tetrahydroquinolin-8-yl]methanamine;ethane;methyl formate is sourced from PubChem (CID 144676719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).