2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline

C20H24N2 — CID 25019324

IUPAC2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline
SMILESNc1ccccc1CN1C[C@@H]2CC[C@@H]1Cc1ccccc1C2
InChIInChI=1S/C20H24N2/c21-20-8-4-3-7-18(20)14-22-13-15-9-10-19(22)12-17-6-2-1-5-16(17)11-15/h1-8,15,19H,9-14,21H2/t15-,19-/m1/s1
InChIKeyXXNCZVXJLLSLES-DNVCBOLYSA-N
MW292.43 g/mol
LogP3.65
Rot. Bonds2

About 2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline

2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline (PubChem CID 25019324) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline.

Molecular Properties

Compound Name2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline
PubChem CID25019324
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline
SMILESNc1ccccc1CN1C[C@@H]2CC[C@@H]1Cc1ccccc1C2
InChIInChI=1S/C20H24N2/c21-20-8-4-3-7-18(20)14-22-13-15-9-10-19(22)12-17-6-2-1-5-16(17)11-15/h1-8,15,19H,9-14,21H2/t15-,19-/m1/s1
InChIKeyXXNCZVXJLLSLES-DNVCBOLYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline?
The IUPAC name of 2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline (CID 25019324) is 2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline.
What is the SMILES notation for 2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline?
The canonical SMILES for 2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline is Nc1ccccc1CN1C[C@@H]2CC[C@@H]1Cc1ccccc1C2.
What is the InChIKey of 2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline?
The InChIKey is XXNCZVXJLLSLES-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H24N2/c21-20-8-4-3-7-18(20)14-22-13-15-9-10-19(22)12-17-6-2-1-5-16(17)11-15/h1-8,15,19H,9-14,21H2/t15-,19-/m1/s1.
What are the key properties of 2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline?
2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline has a molecular weight of 292.43 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline is sourced from PubChem (CID 25019324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).