8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene

C20H19Cl2N — CID 171972923

IUPAC8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESClc1ccc(Cl)c(C2=CC3CCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C20H19Cl2N/c21-16-6-9-20(22)19(12-16)15-10-17-7-8-18(11-15)23(17)13-14-4-2-1-3-5-14/h1-6,9-10,12,17-18H,7-8,11,13H2
InChIKeyHNUIGAZMGDPTDF-UHFFFAOYSA-N
MW344.29 g/mol
LogP5.81
Rot. Bonds3

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

8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171972923) has the molecular formula C20H19Cl2N and a molecular weight of 344.29 g/mol. Its IUPAC name is 8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171972923
Molecular FormulaC20H19Cl2N
Molecular Weight344.29 g/mol
Exact Mass343.09
IUPAC Name8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESClc1ccc(Cl)c(C2=CC3CCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C20H19Cl2N/c21-16-6-9-20(22)19(12-16)15-10-17-7-8-18(11-15)23(17)13-14-4-2-1-3-5-14/h1-6,9-10,12,17-18H,7-8,11,13H2
InChIKeyHNUIGAZMGDPTDF-UHFFFAOYSA-N
XLogP5.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.29
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-benzyl-3-(2,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972922
9-benzyl-3-(2-chloro-5-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971661
9-benzyl-3-(4-chloro-2-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971662
8-benzyl-3-phenanthren-9-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 171967825
8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972933
9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171968666
8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171967717
9-benzyl-7-(5-chloro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971489
8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 67175391
8-benzyl-3-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973277
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971014
5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-2-fluorobenzonitrile
CID 171971806

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene (CID 171972923) is 8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene is Clc1ccc(Cl)c(C2=CC3CCC(C2)N3Cc2ccccc2)c1.
What is the InChIKey of 8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is HNUIGAZMGDPTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N/c21-16-6-9-20(22)19(12-16)15-10-17-7-8-18(11-15)23(17)13-14-4-2-1-3-5-14/h1-6,9-10,12,17-18H,7-8,11,13H2.
What are the key properties of 8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene?
8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 344.29 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(2,5-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171972923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).