2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine

C24H30N2O — CID 171969390

IUPAC2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(C2=CC3CCC(C2)N3Cc2ccccc2)cc1
InChIInChI=1S/C24H30N2O/c1-25(2)14-15-27-24-12-8-20(9-13-24)21-16-22-10-11-23(17-21)26(22)18-19-6-4-3-5-7-19/h3-9,12-13,16,22-23H,10-11,14-15,17-18H2,1-2H3
InChIKeyPCGBIRFWBSRKPZ-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.45
Rot. Bonds7

About 2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine

2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine (PubChem CID 171969390) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine
PubChem CID171969390
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(C2=CC3CCC(C2)N3Cc2ccccc2)cc1
InChIInChI=1S/C24H30N2O/c1-25(2)14-15-27-24-12-8-20(9-13-24)21-16-22-10-11-23(17-21)26(22)18-19-6-4-3-5-7-19/h3-9,12-13,16,22-23H,10-11,14-15,17-18H2,1-2H3
InChIKeyPCGBIRFWBSRKPZ-UHFFFAOYSA-N
XLogP4.45
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine with MolForge

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Related Compounds

4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171966604
3-[4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenoxy]propanenitrile
CID 171969388
5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine
CID 171971436
8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 67175391
8-benzyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971789
8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973239
1-[4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]ethanone
CID 171971045
8-benzyl-3-(3-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene;iodoform
CID 123525033
8-benzyl-3-(5-phenylmethoxy-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171967780
8-benzyl-3-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973277
[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol
CID 171972827
6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline
CID 171970824

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine (CID 171969390) is 2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1ccc(C2=CC3CCC(C2)N3Cc2ccccc2)cc1.
What is the InChIKey of 2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is PCGBIRFWBSRKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-25(2)14-15-27-24-12-8-20(9-13-24)21-16-22-10-11-23(17-21)26(22)18-19-6-4-3-5-7-19/h3-9,12-13,16,22-23H,10-11,14-15,17-18H2,1-2H3.
What are the key properties of 2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine?
2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 362.52 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 171969390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).