2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine

C25H35NO2 — CID 101226417

IUPAC2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine
SMILESCC(C)(C)OCC(ON1C(C)(C)CCC1(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO2/c1-23(2,3)27-19-22(20-13-9-7-10-14-20)28-26-24(4,5)17-18-25(26,6)21-15-11-8-12-16-21/h7-16,22H,17-19H2,1-6H3
InChIKeyXHKCPHHHRHAPMX-UHFFFAOYSA-N
MW381.56 g/mol
LogP6.26
Rot. Bonds6

About 2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine

2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine (PubChem CID 101226417) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is 2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine.

Molecular Properties

Compound Name2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine
PubChem CID101226417
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC Name2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine
SMILESCC(C)(C)OCC(ON1C(C)(C)CCC1(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO2/c1-23(2,3)27-19-22(20-13-9-7-10-14-20)28-26-24(4,5)17-18-25(26,6)21-15-11-8-12-16-21/h7-16,22H,17-19H2,1-6H3
InChIKeyXHKCPHHHRHAPMX-UHFFFAOYSA-N
XLogP6.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine?
The IUPAC name of 2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine (CID 101226417) is 2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine.
What is the SMILES notation for 2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine?
The canonical SMILES for 2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine is CC(C)(C)OCC(ON1C(C)(C)CCC1(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine?
The InChIKey is XHKCPHHHRHAPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-23(2,3)27-19-22(20-13-9-7-10-14-20)28-26-24(4,5)17-18-25(26,6)21-15-11-8-12-16-21/h7-16,22H,17-19H2,1-6H3.
What are the key properties of 2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine?
2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine has a molecular weight of 381.56 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-1-phenylethoxy]-5-phenylpyrrolidine is sourced from PubChem (CID 101226417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).