(3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine

C26H36N2 — CID 170207669

IUPAC(3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@H](c2cccc(CC(C)N3CC(C)(c4ccccc4)C3)c2)C1
InChIInChI=1S/C26H36N2/c1-20(2)27-14-13-24(17-27)23-10-8-9-22(16-23)15-21(3)28-18-26(4,19-28)25-11-6-5-7-12-25/h5-12,16,20-21,24H,13-15,17-19H2,1-4H3/t21?,24-/m0/s1
InChIKeyGYVPYXIVBMQFMF-FHZUCYEKSA-N
MW376.59 g/mol
LogP5.09
Rot. Bonds6

About (3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine

(3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine (PubChem CID 170207669) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is (3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine
PubChem CID170207669
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name(3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@H](c2cccc(CC(C)N3CC(C)(c4ccccc4)C3)c2)C1
InChIInChI=1S/C26H36N2/c1-20(2)27-14-13-24(17-27)23-10-8-9-22(16-23)15-21(3)28-18-26(4,19-28)25-11-6-5-7-12-25/h5-12,16,20-21,24H,13-15,17-19H2,1-4H3/t21?,24-/m0/s1
InChIKeyGYVPYXIVBMQFMF-FHZUCYEKSA-N
XLogP5.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine?
The IUPAC name of (3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine (CID 170207669) is (3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine?
The canonical SMILES for (3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine is CC(C)N1CC[C@H](c2cccc(CC(C)N3CC(C)(c4ccccc4)C3)c2)C1.
What is the InChIKey of (3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine?
The InChIKey is GYVPYXIVBMQFMF-FHZUCYEKSA-N. The full InChI is InChI=1S/C26H36N2/c1-20(2)27-14-13-24(17-27)23-10-8-9-22(16-23)15-21(3)28-18-26(4,19-28)25-11-6-5-7-12-25/h5-12,16,20-21,24H,13-15,17-19H2,1-4H3/t21?,24-/m0/s1.
What are the key properties of (3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine?
(3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine has a molecular weight of 376.59 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[2-(3-methyl-3-phenylazetidin-1-yl)propyl]phenyl]-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 170207669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).