3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine

C13H22N2O — CID 22683982

IUPAC3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccccc1CCN
InChIInChI=1S/C13H22N2O/c1-15(2)10-5-11-16-13-7-4-3-6-12(13)8-9-14/h3-4,6-7H,5,8-11,14H2,1-2H3
InChIKeyYKLHUWMQSJSGLY-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.52
Rot. Bonds7

About 3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine

3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 22683982) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID22683982
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccccc1CCN
InChIInChI=1S/C13H22N2O/c1-15(2)10-5-11-16-13-7-4-3-6-12(13)8-9-14/h3-4,6-7H,5,8-11,14H2,1-2H3
InChIKeyYKLHUWMQSJSGLY-UHFFFAOYSA-N
XLogP1.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-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-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
CID 170879208
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049
N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
CID 3055351
N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695677
2-[2-(2-butoxyethoxy)phenyl]ethanamine
CID 54956247
N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
CID 114526282
4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 20545010

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine (CID 22683982) is 3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccccc1CCN.
What is the InChIKey of 3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is YKLHUWMQSJSGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(2)10-5-11-16-13-7-4-3-6-12(13)8-9-14/h3-4,6-7H,5,8-11,14H2,1-2H3.
What are the key properties of 3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine?
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 22683982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).