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

C13H20N2O — CID 82732197

IUPACN-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine
SMILESCN(CCc1ccccc1N)C1CCOC1
InChIInChI=1S/C13H20N2O/c1-15(12-7-9-16-10-12)8-6-11-4-2-3-5-13(11)14/h2-5,12H,6-10,14H2,1H3
InChIKeyOGQMVHDGZDCBEA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.53
Rot. Bonds4

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

N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine (PubChem CID 82732197) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine
PubChem CID82732197
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine
SMILESCN(CCc1ccccc1N)C1CCOC1
InChIInChI=1S/C13H20N2O/c1-15(12-7-9-16-10-12)8-6-11-4-2-3-5-13(11)14/h2-5,12H,6-10,14H2,1H3
InChIKeyOGQMVHDGZDCBEA-UHFFFAOYSA-N
XLogP1.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-aminophenyl)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

N-[2-(2-aminophenoxy)ethyl]-N-methyloxolan-3-amine
CID 82732858
N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine
CID 63558537
3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide
CID 120611849
N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]oxolan-3-amine
CID 82754077
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
CID 82753988
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732862
1-(2-bromophenyl)-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743611
N-(2-chlorophenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754729
2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline
CID 55079431
2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385324

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine (CID 82732197) is N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine is CN(CCc1ccccc1N)C1CCOC1.
What is the InChIKey of N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine?
The InChIKey is OGQMVHDGZDCBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(12-7-9-16-10-12)8-6-11-4-2-3-5-13(11)14/h2-5,12H,6-10,14H2,1H3.
What are the key properties of N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine?
N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82732197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).