15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C21H22N2 — CID 15149394

IUPAC15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc(CCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1
InChIInChI=1S/C21H22N2/c1-2-6-15(7-3-1)12-13-23-16-10-11-20(23)21-17-8-4-5-9-18(17)22-19(21)14-16/h1-9,16,20,22H,10-14H2
InChIKeyZWVYJKKPUUUTFE-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.47
Rot. Bonds3

About 15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 15149394) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID15149394
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc(CCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1
InChIInChI=1S/C21H22N2/c1-2-6-15(7-3-1)12-13-23-16-10-11-20(23)21-17-8-4-5-9-18(17)22-19(21)14-16/h1-9,16,20,22H,10-14H2
InChIKeyZWVYJKKPUUUTFE-UHFFFAOYSA-N
XLogP4.47
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 15149394) is 15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is c1ccc(CCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1.
What is the InChIKey of 15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is ZWVYJKKPUUUTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-2-6-15(7-3-1)12-13-23-16-10-11-20(23)21-17-8-4-5-9-18(17)22-19(21)14-16/h1-9,16,20,22H,10-14H2.
What are the key properties of 15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 302.42 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-phenylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 15149394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).