1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine

C16H25NO — CID 130267989

IUPAC1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine
SMILESCC(C)c1ccc(OC2CCN(C(C)C)C2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)14-5-7-15(8-6-14)18-16-9-10-17(11-16)13(3)4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyLTCKMLWOCMBZTE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.67
Rot. Bonds4

About 1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine

1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine (PubChem CID 130267989) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine.

Molecular Properties

Compound Name1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine
PubChem CID130267989
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine
SMILESCC(C)c1ccc(OC2CCN(C(C)C)C2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)14-5-7-15(8-6-14)18-16-9-10-17(11-16)13(3)4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyLTCKMLWOCMBZTE-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenoxy)-1-propan-2-ylpiperidine
CID 138636971
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
1-methyl-4-(1-propan-2-ylpyrrolidin-3-yl)oxypyrazole
CID 176693054
4-(4-piperidin-1-ylphenoxy)-1-propan-2-ylpiperidine
CID 141090677
3-[4-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 156903080
1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64765498
3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane
CID 176937704
(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 26192167
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
(2S)-2-(2-methylpropyl)-1-propan-2-yl-4-(4-propan-2-ylphenoxy)pyrrolidine
CID 176938034
methyl 5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indole-2-carboxylate
CID 150365162
[6-(1-propan-2-ylpyrrolidin-3-yl)oxynaphthalen-2-yl]-thiomorpholin-4-ylmethanone
CID 69071505

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine?
The IUPAC name of 1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine (CID 130267989) is 1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine.
What is the SMILES notation for 1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine?
The canonical SMILES for 1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine is CC(C)c1ccc(OC2CCN(C(C)C)C2)cc1.
What is the InChIKey of 1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine?
The InChIKey is LTCKMLWOCMBZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)14-5-7-15(8-6-14)18-16-9-10-17(11-16)13(3)4/h5-8,12-13,16H,9-11H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine?
1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine is sourced from PubChem (CID 130267989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).