2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide

C12H18N2O3 — CID 54931370

IUPAC2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
SMILESCOc1ccc(OC(C)C(N)=O)c(CCN)c1
InChIInChI=1S/C12H18N2O3/c1-8(12(14)15)17-11-4-3-10(16-2)7-9(11)5-6-13/h3-4,7-8H,5-6,13H2,1-2H3,(H2,14,15)
InChIKeyATOAPTPKEFCMLB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.45
Rot. Bonds6

About 2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide

2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide (PubChem CID 54931370) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
PubChem CID54931370
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
SMILESCOc1ccc(OC(C)C(N)=O)c(CCN)c1
InChIInChI=1S/C12H18N2O3/c1-8(12(14)15)17-11-4-3-10(16-2)7-9(11)5-6-13/h3-4,7-8H,5-6,13H2,1-2H3,(H2,14,15)
InChIKeyATOAPTPKEFCMLB-UHFFFAOYSA-N
XLogP0.45
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.45
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]propanamide
CID 61269245
2-[4-methoxy-2-(propylaminomethyl)phenoxy]propanamide
CID 43276391
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid
CID 55134399
2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide
CID 54930549
2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide
CID 82000170
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
CID 82001124
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
CID 107692552
2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43268134
2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43141884
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43268118

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide (CID 54931370) is 2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide is COc1ccc(OC(C)C(N)=O)c(CCN)c1.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide?
The InChIKey is ATOAPTPKEFCMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(12(14)15)17-11-4-3-10(16-2)7-9(11)5-6-13/h3-4,7-8H,5-6,13H2,1-2H3,(H2,14,15).
What are the key properties of 2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide?
2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide is sourced from PubChem (CID 54931370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).