N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine

C15H23NO3 — CID 104748707

IUPACN-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine
SMILESCNC(COCCOc1ccccc1)C1CCOC1
InChIInChI=1S/C15H23NO3/c1-16-15(13-7-8-17-11-13)12-18-9-10-19-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3
InChIKeyKNXBSZVQNSDSSC-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.71
Rot. Bonds8

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

N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine (PubChem CID 104748707) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine
PubChem CID104748707
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine
SMILESCNC(COCCOc1ccccc1)C1CCOC1
InChIInChI=1S/C15H23NO3/c1-16-15(13-7-8-17-11-13)12-18-9-10-19-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3
InChIKeyKNXBSZVQNSDSSC-UHFFFAOYSA-N
XLogP1.71
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749761
2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749046
N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine
CID 104748617
2-(2-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748356
1-(oxolan-3-yl)-3-phenoxypropan-1-ol
CID 63565308
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
2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine
CID 107139197
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
1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine
CID 107506641
N-methyl-1-(oxolan-3-yl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 104748716

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine (CID 104748707) is N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine is CNC(COCCOc1ccccc1)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine?
The InChIKey is KNXBSZVQNSDSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16-15(13-7-8-17-11-13)12-18-9-10-19-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine?
N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine is sourced from PubChem (CID 104748707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).