2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide

C13H20N2O2 — CID 16771866

IUPAC2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccccc1CN
InChIInChI=1S/C13H20N2O2/c1-3-15(4-2)13(16)10-17-12-8-6-5-7-11(12)9-14/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyVNVHKKLUZUMSIA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.39
Rot. Bonds6

About 2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide

2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide (PubChem CID 16771866) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
PubChem CID16771866
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccccc1CN
InChIInChI=1S/C13H20N2O2/c1-3-15(4-2)13(16)10-17-12-8-6-5-7-11(12)9-14/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyVNVHKKLUZUMSIA-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63697693
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide
CID 43141794
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277363
2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103187433
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
2-(2-acetamidophenoxy)-N,N-diethylacetamide
CID 7688277
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide
CID 107700208
2-(2-ethylphenoxy)-N-methylacetohydrazide
CID 116820495
2-[2-(aminomethyl)phenoxy]-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107733334
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 61108210

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide (CID 16771866) is 2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide?
The InChIKey is VNVHKKLUZUMSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15(4-2)13(16)10-17-12-8-6-5-7-11(12)9-14/h5-8H,3-4,9-10,14H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide?
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 16771866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).