3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane

C19H33NO — CID 176937704

IUPAC3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane
SMILESCC(C)C.CCC(C)c1ccc(OC2CCN(C)C2)cc1
InChIInChI=1S/C15H23NO.C4H10/c1-4-12(2)13-5-7-14(8-6-13)17-15-9-10-16(3)11-15;1-4(2)3/h5-8,12,15H,4,9-11H2,1-3H3;4H,1-3H3
InChIKeyAJIPITNJSONLSX-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.95
Rot. Bonds4

About 3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane

3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane (PubChem CID 176937704) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane.

Molecular Properties

Compound Name3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane
PubChem CID176937704
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane
SMILESCC(C)C.CCC(C)c1ccc(OC2CCN(C)C2)cc1
InChIInChI=1S/C15H23NO.C4H10/c1-4-12(2)13-5-7-14(8-6-13)17-15-9-10-16(3)11-15;1-4(2)3/h5-8,12,15H,4,9-11H2,1-3H3;4H,1-3H3
InChIKeyAJIPITNJSONLSX-UHFFFAOYSA-N
XLogP4.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-3-(4-methylphenoxy)pyrrolidine;2-methylpropane
CID 176937832
CID 140799111
CID 140799111
1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene
CID 107669082
[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 117052585
3-[4-(1-methylazetidin-3-yl)oxyphenyl]butanal
CID 117338485
4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655648
1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 130267989
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine
CID 117415732
3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]butanal
CID 117444459
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 115005056
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
CID 153376594

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane?
The IUPAC name of 3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane (CID 176937704) is 3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane.
What is the SMILES notation for 3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane?
The canonical SMILES for 3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane is CC(C)C.CCC(C)c1ccc(OC2CCN(C)C2)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane?
The InChIKey is AJIPITNJSONLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C4H10/c1-4-12(2)13-5-7-14(8-6-13)17-15-9-10-16(3)11-15;1-4(2)3/h5-8,12,15H,4,9-11H2,1-3H3;4H,1-3H3.
What are the key properties of 3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane?
3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane has a molecular weight of 291.48 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane is sourced from PubChem (CID 176937704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).