N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine

C16H25NO2 — CID 104748617

IUPACN-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine
SMILESCNC(COc1ccccc1C(C)C)C1CCOC1
InChIInChI=1S/C16H25NO2/c1-12(2)14-6-4-5-7-16(14)19-11-15(17-3)13-8-9-18-10-13/h4-7,12-13,15,17H,8-11H2,1-3H3
InChIKeyWONLQNPFKJUVGX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.81
Rot. Bonds6

About N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine

N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine (PubChem CID 104748617) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine
PubChem CID104748617
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine
SMILESCNC(COc1ccccc1C(C)C)C1CCOC1
InChIInChI=1S/C16H25NO2/c1-12(2)14-6-4-5-7-16(14)19-11-15(17-3)13-8-9-18-10-13/h4-7,12-13,15,17H,8-11H2,1-3H3
InChIKeyWONLQNPFKJUVGX-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-methyl-2-(2-propan-2-ylphenoxy)ethanamine
CID 63915324
2-(2-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748356
2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 102981002
2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410
N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine
CID 104748707
N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749046
N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine
CID 104749198
N-methyl-1-(oxolan-3-yl)-2-pyridin-2-ylethanamine
CID 63563236
N-methyl-1-(oxolan-3-yl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749257
1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
CID 104748451

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine (CID 104748617) is N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine is CNC(COc1ccccc1C(C)C)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine?
The InChIKey is WONLQNPFKJUVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)14-6-4-5-7-16(14)19-11-15(17-3)13-8-9-18-10-13/h4-7,12-13,15,17H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine?
N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine is sourced from PubChem (CID 104748617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).