6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol

C35H45FN2O5 — CID 146725855

IUPAC6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1)c1cc(OC)ccc1C1CCC2=C(CCC(O)=C2)C1
InChIInChI=1S/C35H45FN2O5/c1-3-38(33-23-30(40-2)9-10-31(33)28-6-5-27-22-29(39)8-7-26(27)21-28)24-25-4-11-34(32(36)20-25)41-17-16-37-14-12-35(13-15-37)42-18-19-43-35/h4,9-11,20,22-23,28,39H,3,5-8,12-19,21,24H2,1-2H3
InChIKeyRGIYEMLCWABUQM-UHFFFAOYSA-N
MW592.75 g/mol
LogP6.88
Rot. Bonds10

About 6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol

6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol (PubChem CID 146725855) has the molecular formula C35H45FN2O5 and a molecular weight of 592.75 g/mol. Its IUPAC name is 6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol
PubChem CID146725855
Molecular FormulaC35H45FN2O5
Molecular Weight592.75 g/mol
Exact Mass592.33
IUPAC Name6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol
SMILESCCN(Cc1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1)c1cc(OC)ccc1C1CCC2=C(CCC(O)=C2)C1
InChIInChI=1S/C35H45FN2O5/c1-3-38(33-23-30(40-2)9-10-31(33)28-6-5-27-22-29(39)8-7-26(27)21-28)24-25-4-11-34(32(36)20-25)41-17-16-37-14-12-35(13-15-37)42-18-19-43-35/h4,9-11,20,22-23,28,39H,3,5-8,12-19,21,24H2,1-2H3
InChIKeyRGIYEMLCWABUQM-UHFFFAOYSA-N
XLogP6.88
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.75
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol?
The IUPAC name of 6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol (CID 146725855) is 6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol.
What is the SMILES notation for 6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol?
The canonical SMILES for 6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol is CCN(Cc1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1)c1cc(OC)ccc1C1CCC2=C(CCC(O)=C2)C1.
What is the InChIKey of 6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol?
The InChIKey is RGIYEMLCWABUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45FN2O5/c1-3-38(33-23-30(40-2)9-10-31(33)28-6-5-27-22-29(39)8-7-26(27)21-28)24-25-4-11-34(32(36)20-25)41-17-16-37-14-12-35(13-15-37)42-18-19-43-35/h4,9-11,20,22-23,28,39H,3,5-8,12-19,21,24H2,1-2H3.
What are the key properties of 6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol?
6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol has a molecular weight of 592.75 g/mol, XLogP of 6.88, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]-3-fluorophenyl]methyl-ethylamino]-4-methoxyphenyl]-3,4,5,6,7,8-hexahydronaphthalen-2-ol is sourced from PubChem (CID 146725855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).