2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine

C16H25NO — CID 117116875

IUPAC2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine
SMILESCOCC(C)(C)c1cccc(C2(C)CCCN2)c1
InChIInChI=1S/C16H25NO/c1-15(2,12-18-4)13-7-5-8-14(11-13)16(3)9-6-10-17-16/h5,7-8,11,17H,6,9-10,12H2,1-4H3
InChIKeyWCNXEESMZDJFEW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.21
Rot. Bonds4

About 2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine

2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine (PubChem CID 117116875) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine
PubChem CID117116875
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine
SMILESCOCC(C)(C)c1cccc(C2(C)CCCN2)c1
InChIInChI=1S/C16H25NO/c1-15(2,12-18-4)13-7-5-8-14(11-13)16(3)9-6-10-17-16/h5,7-8,11,17H,6,9-10,12H2,1-4H3
InChIKeyWCNXEESMZDJFEW-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine (CID 117116875) is 2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine is COCC(C)(C)c1cccc(C2(C)CCCN2)c1.
What is the InChIKey of 2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine?
The InChIKey is WCNXEESMZDJFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,12-18-4)13-7-5-8-14(11-13)16(3)9-6-10-17-16/h5,7-8,11,17H,6,9-10,12H2,1-4H3.
What are the key properties of 2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine?
2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117116875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).