1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]

C25H25N — CID 54482081

IUPAC1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
SMILESc1ccc(CCN2CC3(C2)c2ccccc2CCc2ccccc23)cc1
InChIInChI=1S/C25H25N/c1-2-8-20(9-3-1)16-17-26-18-25(19-26)23-12-6-4-10-21(23)14-15-22-11-5-7-13-24(22)25/h1-13H,14-19H2
InChIKeyXPRXRTMQFNOYQW-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.63
Rot. Bonds3

About 1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]

1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] (PubChem CID 54482081) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene].

Molecular Properties

Compound Name1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
PubChem CID54482081
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
SMILESc1ccc(CCN2CC3(C2)c2ccccc2CCc2ccccc23)cc1
InChIInChI=1S/C25H25N/c1-2-8-20(9-3-1)16-17-26-18-25(19-26)23-12-6-4-10-21(23)14-15-22-11-5-7-13-24(22)25/h1-13H,14-19H2
InChIKeyXPRXRTMQFNOYQW-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] with MolForge

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Related Compounds

1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]
CID 71377991
1'-benzylspiro[2,3-dihydro-1H-naphthalene-4,3'-azetidine]-2'-one
CID 169057699
2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
CID 121350884
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
(1'R)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 145339119
4-methylidene-1-(2-phenylethyl)piperidine
CID 58902713
1'-methylspiro[1,2-dihydroindene-3,3'-2H-indole]
CID 11322294
2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
CID 121359978
1-(2-phenylethyl)-1,3,5-triazinane
CID 126970923
1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
CID 10264250
1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole
CID 69267798
1'-benzylspiro[9H-anthracene-10,3'-pyrrolidine]-2-ol
CID 10337390

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]?
The IUPAC name of 1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] (CID 54482081) is 1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene].
What is the SMILES notation for 1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]?
The canonical SMILES for 1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] is c1ccc(CCN2CC3(C2)c2ccccc2CCc2ccccc23)cc1.
What is the InChIKey of 1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]?
The InChIKey is XPRXRTMQFNOYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N/c1-2-8-20(9-3-1)16-17-26-18-25(19-26)23-12-6-4-10-21(23)14-15-22-11-5-7-13-24(22)25/h1-13H,14-19H2.
What are the key properties of 1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]?
1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] has a molecular weight of 339.48 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] is sourced from PubChem (CID 54482081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).