1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine

C26H27NO — CID 24753957

IUPAC1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESc1ccc(Oc2ccccc2-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1
InChIInChI=1S/C26H27NO/c1-2-8-24(9-3-1)28-26-11-5-4-10-25(26)22-13-12-21-19-23(15-14-20(21)18-22)27-16-6-7-17-27/h1-5,8-13,18,23H,6-7,14-17,19H2
InChIKeyDEEROSYUOANMRE-UHFFFAOYSA-N
MW369.51 g/mol
LogP6.10
Rot. Bonds4

About 1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine

1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (PubChem CID 24753957) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
PubChem CID24753957
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESc1ccc(Oc2ccccc2-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1
InChIInChI=1S/C26H27NO/c1-2-8-24(9-3-1)28-26-11-5-4-10-25(26)22-13-12-21-19-23(15-14-20(21)18-22)27-16-6-7-17-27/h1-5,8-13,18,23H,6-7,14-17,19H2
InChIKeyDEEROSYUOANMRE-UHFFFAOYSA-N
XLogP6.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The IUPAC name of 1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (CID 24753957) is 1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.
What is the SMILES notation for 1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The canonical SMILES for 1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is c1ccc(Oc2ccccc2-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1.
What is the InChIKey of 1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The InChIKey is DEEROSYUOANMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO/c1-2-8-24(9-3-1)28-26-11-5-4-10-25(26)22-13-12-21-19-23(15-14-20(21)18-22)27-16-6-7-17-27/h1-5,8-13,18,23H,6-7,14-17,19H2.
What are the key properties of 1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine has a molecular weight of 369.51 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is sourced from PubChem (CID 24753957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).