2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide

C11H16N2O3 — CID 61269245

IUPAC2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide
SMILESCOc1ccc(CN)c(OC(C)C(N)=O)c1
InChIInChI=1S/C11H16N2O3/c1-7(11(13)14)16-10-5-9(15-2)4-3-8(10)6-12/h3-5,7H,6,12H2,1-2H3,(H2,13,14)
InChIKeyQBPQZEULICGYHZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.41
Rot. Bonds5

About 2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide

2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide (PubChem CID 61269245) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide
PubChem CID61269245
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide
SMILESCOc1ccc(CN)c(OC(C)C(N)=O)c1
InChIInChI=1S/C11H16N2O3/c1-7(11(13)14)16-10-5-9(15-2)4-3-8(10)6-12/h3-5,7H,6,12H2,1-2H3,(H2,13,14)
InChIKeyQBPQZEULICGYHZ-UHFFFAOYSA-N
XLogP0.41
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanamide
CID 61268752
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide
CID 61269246
2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
CID 54931370
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylpropanamide
CID 61268519
2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide
CID 82000170
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
CID 82001124
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid
CID 55134399
2-[4-methoxy-2-(propylaminomethyl)phenoxy]propanamide
CID 43276391
2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 103566037
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 61267389
2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43268134
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide?
The IUPAC name of 2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide (CID 61269245) is 2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide is COc1ccc(CN)c(OC(C)C(N)=O)c1.
What is the InChIKey of 2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide?
The InChIKey is QBPQZEULICGYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(11(13)14)16-10-5-9(15-2)4-3-8(10)6-12/h3-5,7H,6,12H2,1-2H3,(H2,13,14).
What are the key properties of 2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide?
2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide is sourced from PubChem (CID 61269245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).