6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol

C22H28N2O2 — CID 154817847

IUPAC6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol
SMILESCN(C)C[C@H]1[C@H]2CN(Cc3ccc4cc(O)ccc4c3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C22H28N2O2/c1-23(2)12-19-20-13-24(14-22(20)8-7-21(19)26-22)11-15-3-4-17-10-18(25)6-5-16(17)9-15/h3-6,9-10,19-21,25H,7-8,11-14H2,1-2H3/t19-,20+,21+,22+/m0/s1
InChIKeyKDRLECBPYLBWKK-DXBBTUNJSA-N
MW352.48 g/mol
LogP3.09
Rot. Bonds4

About 6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol

6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol (PubChem CID 154817847) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol
PubChem CID154817847
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol
SMILESCN(C)C[C@H]1[C@H]2CN(Cc3ccc4cc(O)ccc4c3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C22H28N2O2/c1-23(2)12-19-20-13-24(14-22(20)8-7-21(19)26-22)11-15-3-4-17-10-18(25)6-5-16(17)9-15/h3-6,9-10,19-21,25H,7-8,11-14H2,1-2H3/t19-,20+,21+,22+/m0/s1
InChIKeyKDRLECBPYLBWKK-DXBBTUNJSA-N
XLogP3.09
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol?
The IUPAC name of 6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol (CID 154817847) is 6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol is CN(C)C[C@H]1[C@H]2CN(Cc3ccc4cc(O)ccc4c3)C[C@]23CC[C@H]1O3.
What is the InChIKey of 6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol?
The InChIKey is KDRLECBPYLBWKK-DXBBTUNJSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-23(2)12-19-20-13-24(14-22(20)8-7-21(19)26-22)11-15-3-4-17-10-18(25)6-5-16(17)9-15/h3-6,9-10,19-21,25H,7-8,11-14H2,1-2H3/t19-,20+,21+,22+/m0/s1.
What are the key properties of 6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol?
6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol has a molecular weight of 352.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 154817847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).