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

C30H38N2O2 — CID 66626739

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

6-[2-[3-[4-[2-(dimethylamino)ethyl]phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 66626739) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is 6-[2-[3-[4-[2-(dimethylamino)ethyl]phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: 6-[2-[3-[4-[2-(dimethylamino)ethyl]phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 66626739
• Molecular Formula: C30H38N2O2
• Molecular Weight: 458.65 g/mol
• Exact Mass: 458.29
• IUPAC Name: 6-[2-[3-[4-[2-(dimethylamino)ethyl]phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: COc1ccc(C2CCc3cc(O)ccc3C2)c(NCCCc2ccc(CCN(C)C)cc2)c1
• InChI: InChI=1S/C30H38N2O2/c1-32(2)18-16-23-8-6-22(7-9-23)5-4-17-31-30-21-28(34-3)14-15-29(30)26-11-10-25-20-27(33)13-12-24(25)19-26/h6-9,12-15,20-21,26,31,33H,4-5,10-11,16-19H2,1-3H3
• InChIKey: IOMMZGNBUBBBHM-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 44.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.65
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-(dimethylamino)ethyl]phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of 6-[2-[3-[4-[2-(dimethylamino)ethyl]phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 66626739) is 6-[2-[3-[4-[2-(dimethylamino)ethyl]phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

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

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

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

The InChIKey is IOMMZGNBUBBBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2/c1-32(2)18-16-23-8-6-22(7-9-23)5-4-17-31-30-21-28(34-3)14-15-29(30)26-11-10-25-20-27(33)13-12-24(25)19-26/h6-9,12-15,20-21,26,31,33H,4-5,10-11,16-19H2,1-3H3.

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

6-[2-[3-[4-[2-(dimethylamino)ethyl]phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 458.65 g/mol, XLogP of 5.82, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[3-[4-[2-(dimethylamino)ethyl]phenyl]propylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 66626739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).