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

C29H36N2O2 — CID 59293913

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

6-[2-[[4-[2-(dimethylamino)ethyl]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 59293913) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 6-[2-[[4-[2-(dimethylamino)ethyl]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: 6-[2-[[4-[2-(dimethylamino)ethyl]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 59293913
• Molecular Formula: C29H36N2O2
• Molecular Weight: 444.62 g/mol
• Exact Mass: 444.28
• IUPAC Name: 6-[2-[[4-[2-(dimethylamino)ethyl]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: COc1ccc(C2CCc3cc(O)ccc3C2)c(N(C)Cc2ccc(CCN(C)C)cc2)c1
• InChI: InChI=1S/C29H36N2O2/c1-30(2)16-15-21-5-7-22(8-6-21)20-31(3)29-19-27(33-4)13-14-28(29)25-10-9-24-18-26(32)12-11-23(24)17-25/h5-8,11-14,18-19,25,32H,9-10,15-17,20H2,1-4H3
• InChIKey: LSUUHHITHDSWJP-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.62
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-[2-(dimethylamino)ethyl]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of 6-[2-[[4-[2-(dimethylamino)ethyl]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 59293913) is 6-[2-[[4-[2-(dimethylamino)ethyl]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

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

The canonical SMILES for 6-[2-[[4-[2-(dimethylamino)ethyl]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is COc1ccc(C2CCc3cc(O)ccc3C2)c(N(C)Cc2ccc(CCN(C)C)cc2)c1.

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

The InChIKey is LSUUHHITHDSWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2/c1-30(2)16-15-21-5-7-22(8-6-21)20-31(3)29-19-27(33-4)13-14-28(29)25-10-9-24-18-26(32)12-11-23(24)17-25/h5-8,11-14,18-19,25,32H,9-10,15-17,20H2,1-4H3.

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

6-[2-[[4-[2-(dimethylamino)ethyl]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 444.62 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[4-[2-(dimethylamino)ethyl]phenyl]methyl-methylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 59293913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).