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

C32H30N2 — CID 171966604

IUPAC4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
SMILESC1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C32H30N2/c1-4-10-25(11-5-1)24-33-31-20-21-32(33)23-27(22-31)26-16-18-30(19-17-26)34(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,22,31-32H,20-21,23-24H2
InChIKeyCJNSTDLRTJMHLT-UHFFFAOYSA-N
MW442.61 g/mol
LogP7.98
Rot. Bonds6

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

4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline (PubChem CID 171966604) has the molecular formula C32H30N2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
PubChem CID171966604
Molecular FormulaC32H30N2
Molecular Weight442.61 g/mol
Exact Mass442.24
IUPAC Name4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
SMILESC1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC2CCC1N2Cc1ccccc1
InChIInChI=1S/C32H30N2/c1-4-10-25(11-5-1)24-33-31-20-21-32(33)23-27(22-31)26-16-18-30(19-17-26)34(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,22,31-32H,20-21,23-24H2
InChIKeyCJNSTDLRTJMHLT-UHFFFAOYSA-N
XLogP7.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

8-benzyl-3-(4-nitrophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971789
2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine
CID 171969390
5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-2-fluorobenzonitrile
CID 171971806
8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 171968586
5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-dimethylpyridin-2-amine
CID 171971436
[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol
CID 171972827
8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973239
6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline
CID 171970824
1-[4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]ethanone
CID 171971045
4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide
CID 171971254
8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972933
8-benzyl-3-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973277

Frequently Asked Questions

What is the IUPAC name of 4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline (CID 171966604) is 4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline is C1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)CC2CCC1N2Cc1ccccc1.
What is the InChIKey of 4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline?
The InChIKey is CJNSTDLRTJMHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2/c1-4-10-25(11-5-1)24-33-31-20-21-32(33)23-27(22-31)26-16-18-30(19-17-26)34(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,22,31-32H,20-21,23-24H2.
What are the key properties of 4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline?
4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline has a molecular weight of 442.61 g/mol, XLogP of 7.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline is sourced from PubChem (CID 171966604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).