(6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C33H42N2O3 — CID 66626933

About (6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

(6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 66626933) has the molecular formula C33H42N2O3 and a molecular weight of 514.71 g/mol. Its IUPAC name is (6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: (6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 66626933
• Molecular Formula: C33H42N2O3
• Molecular Weight: 514.71 g/mol
• Exact Mass: 514.32
• IUPAC Name: (6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: CCN(Cc1ccc(OCCNCC2CCC2)cc1)c1cc(OC)ccc1[C@@H]1CCc2cc(O)ccc2C1
• InChI: InChI=1S/C33H42N2O3/c1-3-35(23-25-7-13-30(14-8-25)38-18-17-34-22-24-5-4-6-24)33-21-31(37-2)15-16-32(33)28-10-9-27-20-29(36)12-11-26(27)19-28/h7-8,11-16,20-21,24,28,34,36H,3-6,9-10,17-19,22-23H2,1-2H3/t28-/m1/s1
• InChIKey: HSWVFNKJMRISFK-MUUNZHRXSA-N
• XLogP: 6.47
• TPSA: 53.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.71
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
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 (6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of (6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 66626933) is (6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for (6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for (6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCN(Cc1ccc(OCCNCC2CCC2)cc1)c1cc(OC)ccc1[C@@H]1CCc2cc(O)ccc2C1.

What is the InChIKey of (6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is HSWVFNKJMRISFK-MUUNZHRXSA-N. The full InChI is InChI=1S/C33H42N2O3/c1-3-35(23-25-7-13-30(14-8-25)38-18-17-34-22-24-5-4-6-24)33-21-31(37-2)15-16-32(33)28-10-9-27-20-29(36)12-11-26(27)19-28/h7-8,11-16,20-21,24,28,34,36H,3-6,9-10,17-19,22-23H2,1-2H3/t28-/m1/s1.

What are the key properties of (6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

(6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 514.71 g/mol, XLogP of 6.47, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-[2-[[4-[2-(cyclobutylmethylamino)ethoxy]phenyl]methyl-ethylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 66626933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).