1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine

C16H25NO — CID 58172305

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine
SMILESCC(C)(C)OC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2,3)18-15(13-17-11-7-8-12-17)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3
InChIKeyOAATVKSRRZNQMN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.64
Rot. Bonds4

About 1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine

1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine (PubChem CID 58172305) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine
PubChem CID58172305
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine
SMILESCC(C)(C)OC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2,3)18-15(13-17-11-7-8-12-17)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3
InChIKeyOAATVKSRRZNQMN-UHFFFAOYSA-N
XLogP3.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]-3-[2-(1-phenyl-2-pyrrolidin-1-ylethoxy)butyl]piperazine
CID 143833451
[2-(azepan-1-yl)-1-phenylethyl] acetate
CID 3115187
1-[(2R)-2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine;hydrochloride
CID 76969625
2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine
CID 58172290
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine
CID 58948589
[(1S)-1-phenyl-2-piperidin-1-ylethyl] benzoate
CID 177441507
1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 117068544
[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate
CID 22297806
1-[(2R)-3-ethyl-2-phenylpentyl]pyrrolidine
CID 71001431
1-benzyl-4-[(2R)-2-methoxy-2-phenylethyl]piperazine
CID 10448132

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine (CID 58172305) is 1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine is CC(C)(C)OC(CN1CCCC1)c1ccccc1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine?
The InChIKey is OAATVKSRRZNQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)18-15(13-17-11-7-8-12-17)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine?
1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine is sourced from PubChem (CID 58172305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).