N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine

C13H20N2O2 — CID 82732858

IUPACN-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine
SMILESCN(CCOc1ccccc1N)C1CCOC1
InChIInChI=1S/C13H20N2O2/c1-15(11-6-8-16-10-11)7-9-17-13-5-3-2-4-12(13)14/h2-5,11H,6-10,14H2,1H3
InChIKeyLCMUVNKAYYVAJW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.37
Rot. Bonds5

About N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine

N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine (PubChem CID 82732858) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine
PubChem CID82732858
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine
SMILESCN(CCOc1ccccc1N)C1CCOC1
InChIInChI=1S/C13H20N2O2/c1-15(11-6-8-16-10-11)7-9-17-13-5-3-2-4-12(13)14/h2-5,11H,6-10,14H2,1H3
InChIKeyLCMUVNKAYYVAJW-UHFFFAOYSA-N
XLogP1.37
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine 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-(2-aminophenoxy)-N-methyl-N-(oxolan-3-yl)propanamide
CID 82740805
N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]oxolan-3-amine
CID 82754077
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
CID 82753988
N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine
CID 82732197
2-[3-[methyl(oxolan-3-yl)amino]propoxy]benzenecarbothioamide
CID 82737803
N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine
CID 43610827
3-[2-[methyl(oxolan-3-yl)amino]ethoxy]benzenecarbothioamide
CID 82737714
2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline
CID 102739824
N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine
CID 43296257
2-[2-[cyclopropyl(methyl)amino]ethoxy]-6-propoxyaniline
CID 102739820
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
CID 82753827
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine (CID 82732858) is N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine is CN(CCOc1ccccc1N)C1CCOC1.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine?
The InChIKey is LCMUVNKAYYVAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(11-6-8-16-10-11)7-9-17-13-5-3-2-4-12(13)14/h2-5,11H,6-10,14H2,1H3.
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine?
N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine has a molecular weight of 236.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82732858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).