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

C22H24N2O — CID 15149400

IUPAC15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc(OCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1
InChIInChI=1S/C22H24N2O/c1-2-7-17(8-3-1)25-14-6-13-24-16-11-12-21(24)22-18-9-4-5-10-19(18)23-20(22)15-16/h1-5,7-10,16,21,23H,6,11-15H2
InChIKeyJSTVGIPYYFTPBE-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.70
Rot. Bonds5

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

15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 15149400) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID15149400
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1ccc(OCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1
InChIInChI=1S/C22H24N2O/c1-2-7-17(8-3-1)25-14-6-13-24-16-11-12-21(24)22-18-9-4-5-10-19(18)23-20(22)15-16/h1-5,7-10,16,21,23H,6,11-15H2
InChIKeyJSTVGIPYYFTPBE-UHFFFAOYSA-N
XLogP4.70
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 15149400) is 15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is c1ccc(OCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1.
What is the InChIKey of 15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is JSTVGIPYYFTPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-7-17(8-3-1)25-14-6-13-24-16-11-12-21(24)22-18-9-4-5-10-19(18)23-20(22)15-16/h1-5,7-10,16,21,23H,6,11-15H2.
What are the key properties of 15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 332.45 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3-phenoxypropyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 15149400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).