8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene

C23H27NO — CID 171971014

IUPAC8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESCC(C)Oc1ccccc1C1=CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H27NO/c1-17(2)25-23-11-7-6-10-22(23)19-14-20-12-13-21(15-19)24(20)16-18-8-4-3-5-9-18/h3-11,14,17,20-21H,12-13,15-16H2,1-2H3
InChIKeyZSQBUTAEEAEKSD-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.29
Rot. Bonds5

About 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene

8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171971014) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171971014
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESCC(C)Oc1ccccc1C1=CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C23H27NO/c1-17(2)25-23-11-7-6-10-22(23)19-14-20-12-13-21(15-19)24(20)16-18-8-4-3-5-9-18/h3-11,14,17,20-21H,12-13,15-16H2,1-2H3
InChIKeyZSQBUTAEEAEKSD-UHFFFAOYSA-N
XLogP5.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171967717
8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972933
9-benzyl-3-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971041
8-benzyl-3-(2,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972922
8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972761
8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972923
8-benzyl-3-phenanthren-9-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 171967825
3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4-methoxybenzonitrile
CID 171971250
9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171968666
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954961
8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971011
8-benzyl-3-(3-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene;iodoform
CID 123525033

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene (CID 171971014) is 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene is CC(C)Oc1ccccc1C1=CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is ZSQBUTAEEAEKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-17(2)25-23-11-7-6-10-22(23)19-14-20-12-13-21(15-19)24(20)16-18-8-4-3-5-9-18/h3-11,14,17,20-21H,12-13,15-16H2,1-2H3.
What are the key properties of 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 333.48 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171971014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).