3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide

C13H20N2O3 — CID 61269630

IUPAC3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
SMILESCOc1ccc(CN)c(OCCC(=O)N(C)C)c1
InChIInChI=1S/C13H20N2O3/c1-15(2)13(16)6-7-18-12-8-11(17-3)5-4-10(12)9-14/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyXOPVGTQLGZEPHW-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.01
Rot. Bonds6

About 3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide

3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide (PubChem CID 61269630) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
PubChem CID61269630
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
SMILESCOc1ccc(CN)c(OCCC(=O)N(C)C)c1
InChIInChI=1S/C13H20N2O3/c1-15(2)13(16)6-7-18-12-8-11(17-3)5-4-10(12)9-14/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyXOPVGTQLGZEPHW-UHFFFAOYSA-N
XLogP1.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269047
3-[2-(hydroxymethyl)-4-methoxyphenoxy]-N,N-dimethylpropanamide
CID 54879094
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782
4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide
CID 82001215
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135
[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936765
3-[2-(2-aminopropyl)-5-methoxyphenoxy]propanamide
CID 61269487
2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide
CID 81298979
3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid
CID 20988529
[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 61268524
[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine
CID 114332989
1-[2-(aminomethyl)-5-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988558

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide (CID 61269630) is 3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide is COc1ccc(CN)c(OCCC(=O)N(C)C)c1.
What is the InChIKey of 3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide?
The InChIKey is XOPVGTQLGZEPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(2)13(16)6-7-18-12-8-11(17-3)5-4-10(12)9-14/h4-5,8H,6-7,9,14H2,1-3H3.
What are the key properties of 3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide?
3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 61269630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).