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

C12H18N2O3 — CID 54930549

IUPAC2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide
SMILESCOc1ccc(CCN)cc1OC(C)C(N)=O
InChIInChI=1S/C12H18N2O3/c1-8(12(14)15)17-11-7-9(5-6-13)3-4-10(11)16-2/h3-4,7-8H,5-6,13H2,1-2H3,(H2,14,15)
InChIKeyOLQRHWKCUPJRSC-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.45
Rot. Bonds6

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

2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide (PubChem CID 54930549) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide
PubChem CID54930549
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide
SMILESCOc1ccc(CCN)cc1OC(C)C(N)=O
InChIInChI=1S/C12H18N2O3/c1-8(12(14)15)17-11-7-9(5-6-13)3-4-10(11)16-2/h3-4,7-8H,5-6,13H2,1-2H3,(H2,14,15)
InChIKeyOLQRHWKCUPJRSC-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-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
CID 107692552
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
CID 60905451
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983
ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate
CID 64660568
2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
CID 54931370
2-[2-methoxy-4-(methylaminomethyl)phenoxy]propanamide
CID 43278556
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
CID 173379178
2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
CID 107665477
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanamide
CID 61268752
2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055739

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide?
The IUPAC name of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide (CID 54930549) is 2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide.
What is the SMILES notation for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide?
The canonical SMILES for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide is COc1ccc(CCN)cc1OC(C)C(N)=O.
What is the InChIKey of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide?
The InChIKey is OLQRHWKCUPJRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(12(14)15)17-11-7-9(5-6-13)3-4-10(11)16-2/h3-4,7-8H,5-6,13H2,1-2H3,(H2,14,15).
What are the key properties of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide?
2-[5-(2-aminoethyl)-2-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-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide is sourced from PubChem (CID 54930549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).