10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol

C22H27NO — CID 66985207

IUPAC10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol
SMILESCC12CCN(Cc3ccccc3)C(Cc3c(O)cccc31)C2(C)C
InChIInChI=1S/C22H27NO/c1-21(2)20-14-17-18(10-7-11-19(17)24)22(21,3)12-13-23(20)15-16-8-5-4-6-9-16/h4-11,20,24H,12-15H2,1-3H3
InChIKeyMDFBSIGPRMFQBT-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.51
Rot. Bonds2

About 10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol

10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol (PubChem CID 66985207) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol.

Molecular Properties

Compound Name10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol
PubChem CID66985207
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol
SMILESCC12CCN(Cc3ccccc3)C(Cc3c(O)cccc31)C2(C)C
InChIInChI=1S/C22H27NO/c1-21(2)20-14-17-18(10-7-11-19(17)24)22(21,3)12-13-23(20)15-16-8-5-4-6-9-16/h4-11,20,24H,12-15H2,1-3H3
InChIKeyMDFBSIGPRMFQBT-UHFFFAOYSA-N
XLogP4.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol?
The IUPAC name of 10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol (CID 66985207) is 10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol.
What is the SMILES notation for 10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol?
The canonical SMILES for 10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol is CC12CCN(Cc3ccccc3)C(Cc3c(O)cccc31)C2(C)C.
What is the InChIKey of 10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol?
The InChIKey is MDFBSIGPRMFQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-21(2)20-14-17-18(10-7-11-19(17)24)22(21,3)12-13-23(20)15-16-8-5-4-6-9-16/h4-11,20,24H,12-15H2,1-3H3.
What are the key properties of 10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol?
10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol has a molecular weight of 321.46 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol is sourced from PubChem (CID 66985207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).