(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine

C25H25NO — CID 146419466

IUPAC(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine
SMILESc1ccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCC4)cc2)cc1
InChIInChI=1S/C25H25NO/c1-2-5-20(6-3-1)21-10-8-19(9-11-21)18-26-15-4-7-24(26)23-13-12-22-14-16-27-25(22)17-23/h1-3,5-6,8-13,17,24H,4,7,14-16,18H2/t24-/m0/s1
InChIKeyLEAYQZAJRITCTC-DEOSSOPVSA-N
MW355.48 g/mol
LogP5.63
Rot. Bonds4

About (2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine

(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine (PubChem CID 146419466) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine
PubChem CID146419466
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine
SMILESc1ccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCC4)cc2)cc1
InChIInChI=1S/C25H25NO/c1-2-5-20(6-3-1)21-10-8-19(9-11-21)18-26-15-4-7-24(26)23-13-12-22-14-16-27-25(22)17-23/h1-3,5-6,8-13,17,24H,4,7,14-16,18H2/t24-/m0/s1
InChIKeyLEAYQZAJRITCTC-DEOSSOPVSA-N
XLogP5.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine?
The IUPAC name of (2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine (CID 146419466) is (2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine?
The canonical SMILES for (2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine is c1ccc(-c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCC4)cc2)cc1.
What is the InChIKey of (2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine?
The InChIKey is LEAYQZAJRITCTC-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25NO/c1-2-5-20(6-3-1)21-10-8-19(9-11-21)18-26-15-4-7-24(26)23-13-12-22-14-16-27-25(22)17-23/h1-3,5-6,8-13,17,24H,4,7,14-16,18H2/t24-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine?
(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine has a molecular weight of 355.48 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1-benzofuran-6-yl)-1-[(4-phenylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 146419466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).