8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene

C23H27NO — CID 171971011

IUPAC8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESCOc1c(C)cc(C2=CC3CCC(C2)N3Cc2ccccc2)cc1C
InChIInChI=1S/C23H27NO/c1-16-11-19(12-17(2)23(16)25-3)20-13-21-9-10-22(14-20)24(21)15-18-7-5-4-6-8-18/h4-8,11-13,21-22H,9-10,14-15H2,1-3H3
InChIKeyOERUOPQJNKTFNX-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.13
Rot. Bonds4

About 8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene

8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171971011) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171971011
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESCOc1c(C)cc(C2=CC3CCC(C2)N3Cc2ccccc2)cc1C
InChIInChI=1S/C23H27NO/c1-16-11-19(12-17(2)23(16)25-3)20-13-21-9-10-22(14-20)24(21)15-18-7-5-4-6-8-18/h4-8,11-13,21-22H,9-10,14-15H2,1-3H3
InChIKeyOERUOPQJNKTFNX-UHFFFAOYSA-N
XLogP5.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-benzyl-3-(3-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene;iodoform
CID 123525033
8-benzyl-3-[4-methoxy-3-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 171969114
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971649
8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 67175391
9-benzyl-3-(4-methoxy-2-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971039
8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972761
[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol
CID 171972827
8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973239
9-benzyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]non-2-ene
CID 171968214
4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171966604
8-benzyl-3-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973277
8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 171968586

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene (CID 171971011) is 8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene is COc1c(C)cc(C2=CC3CCC(C2)N3Cc2ccccc2)cc1C.
What is the InChIKey of 8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is OERUOPQJNKTFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-16-11-19(12-17(2)23(16)25-3)20-13-21-9-10-22(14-20)24(21)15-18-7-5-4-6-8-18/h4-8,11-13,21-22H,9-10,14-15H2,1-3H3.
What are the key properties of 8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 333.48 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171971011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).