2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine

C17H27NO2 — CID 104749046

IUPAC2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(COc1cccc(C(C)(C)C)c1)C1CCOC1
InChIInChI=1S/C17H27NO2/c1-17(2,3)14-6-5-7-15(10-14)20-12-16(18-4)13-8-9-19-11-13/h5-7,10,13,16,18H,8-9,11-12H2,1-4H3
InChIKeyNQFDKGXUNLHFOA-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.99
Rot. Bonds5

About 2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine

2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104749046) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID104749046
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(COc1cccc(C(C)(C)C)c1)C1CCOC1
InChIInChI=1S/C17H27NO2/c1-17(2,3)14-6-5-7-15(10-14)20-12-16(18-4)13-8-9-19-11-13/h5-7,10,13,16,18H,8-9,11-12H2,1-4H3
InChIKeyNQFDKGXUNLHFOA-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748356
N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine
CID 104748707
[2-(3-chlorophenoxy)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105306470
N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine
CID 104749198
2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine
CID 104748617
2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine
CID 107139197
2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 102981002
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine
CID 104748957
2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748472

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine (CID 104749046) is 2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(COc1cccc(C(C)(C)C)c1)C1CCOC1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is NQFDKGXUNLHFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,3)14-6-5-7-15(10-14)20-12-16(18-4)13-8-9-19-11-13/h5-7,10,13,16,18H,8-9,11-12H2,1-4H3.
What are the key properties of 2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine?
2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104749046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).