2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide

C12H18N2O3 — CID 82000170

IUPAC2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide
SMILESCOc1ccc(C(C)N)c(OC(C)C(N)=O)c1
InChIInChI=1S/C12H18N2O3/c1-7(13)10-5-4-9(16-3)6-11(10)17-8(2)12(14)15/h4-8H,13H2,1-3H3,(H2,14,15)
InChIKeyJFYFSOYGLAPHFV-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.97
Rot. Bonds5

About 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide

2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide (PubChem CID 82000170) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide
PubChem CID82000170
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide
SMILESCOc1ccc(C(C)N)c(OC(C)C(N)=O)c1
InChIInChI=1S/C12H18N2O3/c1-7(13)10-5-4-9(16-3)6-11(10)17-8(2)12(14)15/h4-8H,13H2,1-3H3,(H2,14,15)
InChIKeyJFYFSOYGLAPHFV-UHFFFAOYSA-N
XLogP0.97
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
CID 82000173
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
CID 82001124
2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 82000761
ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate
CID 83035515
2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 61269245
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanamide
CID 61268752
2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
CID 54931370
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 82001811
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]propanoic acid
CID 78946999

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide?
The IUPAC name of 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide (CID 82000170) is 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide is COc1ccc(C(C)N)c(OC(C)C(N)=O)c1.
What is the InChIKey of 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide?
The InChIKey is JFYFSOYGLAPHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(13)10-5-4-9(16-3)6-11(10)17-8(2)12(14)15/h4-8H,13H2,1-3H3,(H2,14,15).
What are the key properties of 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide?
2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide is sourced from PubChem (CID 82000170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).