2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide

C12H18N2O3 — CID 16788914

IUPAC2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccccc1CN
InChIInChI=1S/C12H18N2O3/c1-16-7-6-14-12(15)9-17-11-5-3-2-4-10(11)8-13/h2-5H,6-9,13H2,1H3,(H,14,15)
InChIKeyFEBQFPMXVLLXFW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.29
Rot. Bonds7

About 2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide

2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 16788914) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID16788914
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccccc1CN
InChIInChI=1S/C12H18N2O3/c1-16-7-6-14-12(15)9-17-11-5-3-2-4-10(11)8-13/h2-5H,6-9,13H2,1H3,(H,14,15)
InChIKeyFEBQFPMXVLLXFW-UHFFFAOYSA-N
XLogP0.29
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
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-(ethylaminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487799
N-(2-methoxyethyl)-2-(2-prop-2-enylphenoxy)acetamide
CID 2072678
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 112608108
methyl 3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-2-hydroxypropanoate
CID 107211898
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 43822964
2-[2-(aminomethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 16795293
2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64517211
3-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N,2,2-trimethylpropanamide
CID 106274772
3-[2-(2-methoxyethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380351
2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 60903946
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide (CID 16788914) is 2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is FEBQFPMXVLLXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-7-6-14-12(15)9-17-11-5-3-2-4-10(11)8-13/h2-5H,6-9,13H2,1H3,(H,14,15).
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide?
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 16788914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).