8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene

C24H29NO2 — CID 171969286

IUPAC8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene
SMILESCCOc1ccccc1OCCC1=CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H29NO2/c1-2-26-23-10-6-7-11-24(23)27-15-14-20-16-21-12-13-22(17-20)25(21)18-19-8-4-3-5-9-19/h3-11,16,21-22H,2,12-15,17-18H2,1H3
InChIKeyZRXSXLVTZRPNQS-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.22
Rot. Bonds8

About 8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene

8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171969286) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171969286
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene
SMILESCCOc1ccccc1OCCC1=CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H29NO2/c1-2-26-23-10-6-7-11-24(23)27-15-14-20-16-21-12-13-22(17-20)25(21)18-19-8-4-3-5-9-19/h3-11,16,21-22H,2,12-15,17-18H2,1H3
InChIKeyZRXSXLVTZRPNQS-UHFFFAOYSA-N
XLogP5.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine
CID 171973631
9-benzyl-3-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971041
9-benzyl-3-decyl-9-azabicyclo[3.3.1]non-2-ene
CID 171970336
8-benzyl-3-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 171971578
8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171967717
8-benzyl-3-oct-2-ynyl-8-azabicyclo[3.2.1]oct-2-ene
CID 171972624
3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 171975203
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971014
tert-butyl 7-[2-(2-ethoxyphenoxy)ethyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene-9-carboxylate
CID 171968527
tert-butyl 3-[2-(2-methoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 171970327
(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl) methanesulfonate
CID 87551688
9-benzyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171972617

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene (CID 171969286) is 8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene is CCOc1ccccc1OCCC1=CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is ZRXSXLVTZRPNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-2-26-23-10-6-7-11-24(23)27-15-14-20-16-21-12-13-22(17-20)25(21)18-19-8-4-3-5-9-19/h3-11,16,21-22H,2,12-15,17-18H2,1H3.
What are the key properties of 8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene?
8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 363.50 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171969286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).