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

C22H25N — CID 171972933

IUPAC8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESCCc1ccccc1C1=CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H25N/c1-2-18-10-6-7-11-22(18)19-14-20-12-13-21(15-19)23(20)16-17-8-4-3-5-9-17/h3-11,14,20-21H,2,12-13,15-16H2,1H3
InChIKeyFMJGCLRQQLBODJ-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.07
Rot. Bonds4

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

8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171972933) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171972933
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESCCc1ccccc1C1=CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H25N/c1-2-18-10-6-7-11-22(18)19-14-20-12-13-21(15-19)23(20)16-17-8-4-3-5-9-17/h3-11,14,20-21H,2,12-13,15-16H2,1H3
InChIKeyFMJGCLRQQLBODJ-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971014
8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171967717
8-benzyl-3-(2,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972922
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
benzyl 3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 171969768
9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171968666
9-benzyl-3-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971041
4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171966604
8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 67175391
8-benzyl-3-(6-methoxypyridazin-3-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972761
8-benzyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971789

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene (CID 171972933) is 8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene is CCc1ccccc1C1=CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is FMJGCLRQQLBODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-2-18-10-6-7-11-22(18)19-14-20-12-13-21(15-19)23(20)16-17-8-4-3-5-9-17/h3-11,14,20-21H,2,12-13,15-16H2,1H3.
What are the key properties of 8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene?
8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 303.45 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171972933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).