6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C30H38N2O3 — CID 66627853

About 6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 66627853) has the molecular formula C30H38N2O3 and a molecular weight of 474.65 g/mol. Its IUPAC name is 6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: 6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 66627853
• Molecular Formula: C30H38N2O3
• Molecular Weight: 474.65 g/mol
• Exact Mass: 474.29
• IUPAC Name: 6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: COc1ccc(C2CCc3cc(O)ccc3C2)c(NCCCc2ccc(OCC(C)(C)N)cc2)c1
• InChI: InChI=1S/C30H38N2O3/c1-30(2,31)20-35-26-12-6-21(7-13-26)5-4-16-32-29-19-27(34-3)14-15-28(29)24-9-8-23-18-25(33)11-10-22(23)17-24/h6-7,10-15,18-19,24,32-33H,4-5,8-9,16-17,20,31H2,1-3H3
• InChIKey: FGFYNSUMRQBMBZ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 76.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.65
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of 6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 66627853) is 6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for 6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for 6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is COc1ccc(C2CCc3cc(O)ccc3C2)c(NCCCc2ccc(OCC(C)(C)N)cc2)c1.

What is the InChIKey of 6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is FGFYNSUMRQBMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O3/c1-30(2,31)20-35-26-12-6-21(7-13-26)5-4-16-32-29-19-27(34-3)14-15-28(29)24-9-8-23-18-25(33)11-10-22(23)17-24/h6-7,10-15,18-19,24,32-33H,4-5,8-9,16-17,20,31H2,1-3H3.

What are the key properties of 6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 474.65 g/mol, XLogP of 5.83, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[3-[4-(2-amino-2-methylpropoxy)phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 66627853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).