(6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C33H43FN2O4 — CID 58023060

IUPAC(6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(CC)CCOc1ccc(CN(CC)c2cc(OC)c(OC)cc2[C@@H]2CCc3cc(O)ccc3C2)cc1F
InChIInChI=1S/C33H43FN2O4/c1-6-35(7-2)15-16-40-31-14-9-23(17-29(31)34)22-36(8-3)30-21-33(39-5)32(38-4)20-28(30)26-11-10-25-19-27(37)13-12-24(25)18-26/h9,12-14,17,19-21,26,37H,6-8,10-11,15-16,18,22H2,1-5H3/t26-/m1/s1
InChIKeyZDTIVQXDHYWMRH-AREMUKBSSA-N
MW550.72 g/mol
LogP6.57
Rot. Bonds13

About (6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

(6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 58023060) has the molecular formula C33H43FN2O4 and a molecular weight of 550.72 g/mol. Its IUPAC name is (6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID58023060
Molecular FormulaC33H43FN2O4
Molecular Weight550.72 g/mol
Exact Mass550.32
IUPAC Name(6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN(CC)CCOc1ccc(CN(CC)c2cc(OC)c(OC)cc2[C@@H]2CCc3cc(O)ccc3C2)cc1F
InChIInChI=1S/C33H43FN2O4/c1-6-35(7-2)15-16-40-31-14-9-23(17-29(31)34)22-36(8-3)30-21-33(39-5)32(38-4)20-28(30)26-11-10-25-19-27(37)13-12-24(25)18-26/h9,12-14,17,19-21,26,37H,6-8,10-11,15-16,18,22H2,1-5H3/t26-/m1/s1
InChIKeyZDTIVQXDHYWMRH-AREMUKBSSA-N
XLogP6.57
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.72
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 58023060) is (6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CCN(CC)CCOc1ccc(CN(CC)c2cc(OC)c(OC)cc2[C@@H]2CCc3cc(O)ccc3C2)cc1F.
What is the InChIKey of (6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is ZDTIVQXDHYWMRH-AREMUKBSSA-N. The full InChI is InChI=1S/C33H43FN2O4/c1-6-35(7-2)15-16-40-31-14-9-23(17-29(31)34)22-36(8-3)30-21-33(39-5)32(38-4)20-28(30)26-11-10-25-19-27(37)13-12-24(25)18-26/h9,12-14,17,19-21,26,37H,6-8,10-11,15-16,18,22H2,1-5H3/t26-/m1/s1.
What are the key properties of (6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
(6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 550.72 g/mol, XLogP of 6.57, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[2-[[4-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4,5-dimethoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 58023060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).