1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine

C16H25NO — CID 145226294

IUPAC1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1c1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-16(2,3)13-7-5-8-14(11-13)17-10-6-9-15(17)12-18-4/h5,7-8,11,15H,6,9-10,12H2,1-4H3
InChIKeyFBZQPUJHYHFKLK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.60
Rot. Bonds3

About 1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine

1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine (PubChem CID 145226294) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine
PubChem CID145226294
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1c1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-16(2,3)13-7-5-8-14(11-13)17-10-6-9-15(17)12-18-4/h5,7-8,11,15H,6,9-10,12H2,1-4H3
InChIKeyFBZQPUJHYHFKLK-UHFFFAOYSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine (CID 145226294) is 1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine is COCC1CCCN1c1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is FBZQPUJHYHFKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)13-7-5-8-14(11-13)17-10-6-9-15(17)12-18-4/h5,7-8,11,15H,6,9-10,12H2,1-4H3.
What are the key properties of 1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine?
1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylphenyl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 145226294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).