7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C19H21NO — CID 166441391

IUPAC7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCOc1cc2c3c(c1)C(c1ccccc1)CCN3CCC2
InChIInChI=1S/C19H21NO/c1-21-16-12-15-8-5-10-20-11-9-17(18(13-16)19(15)20)14-6-3-2-4-7-14/h2-4,6-7,12-13,17H,5,8-11H2,1H3
InChIKeyWSOFNTLOLNYYPG-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.98
Rot. Bonds2

About 7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 166441391) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID166441391
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCOc1cc2c3c(c1)C(c1ccccc1)CCN3CCC2
InChIInChI=1S/C19H21NO/c1-21-16-12-15-8-5-10-20-11-9-17(18(13-16)19(15)20)14-6-3-2-4-7-14/h2-4,6-7,12-13,17H,5,8-11H2,1H3
InChIKeyWSOFNTLOLNYYPG-UHFFFAOYSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10406366
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CID 67113
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-phenylpiperazine
CID 10247330
6-methoxy-2,2,4-trimethyl-9-phenyl-3,4-dihydro-2H-4,1-(epiminomethano)quinolin-10-one
CID 627978
1-[3-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10473986
1-[2-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-ethyl]-4-phenyl-piperazine
CID 10569886
1-[2-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10617865
1-[2-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10617866
1-[2-(7-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10665424
1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-4-phenyl-piperazine
CID 10691080
1-[2-(5-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10760170

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 166441391) is 7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is COc1cc2c3c(c1)C(c1ccccc1)CCN3CCC2.
What is the InChIKey of 7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is WSOFNTLOLNYYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-21-16-12-15-8-5-10-20-11-9-17(18(13-16)19(15)20)14-6-3-2-4-7-14/h2-4,6-7,12-13,17H,5,8-11H2,1H3.
What are the key properties of 7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 279.38 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 166441391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).