2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide

C12H18N2O3 — CID 43366644

IUPAC2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide
SMILESCCOc1cccc(CN)c1OC(C)C(N)=O
InChIInChI=1S/C12H18N2O3/c1-3-16-10-6-4-5-9(7-13)11(10)17-8(2)12(14)15/h4-6,8H,3,7,13H2,1-2H3,(H2,14,15)
InChIKeyXFSXLTVUBGCNIR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.80
Rot. Bonds6

About 2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide

2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide (PubChem CID 43366644) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide
PubChem CID43366644
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide
SMILESCCOc1cccc(CN)c1OC(C)C(N)=O
InChIInChI=1S/C12H18N2O3/c1-3-16-10-6-4-5-9(7-13)11(10)17-8(2)12(14)15/h4-6,8H,3,7,13H2,1-2H3,(H2,14,15)
InChIKeyXFSXLTVUBGCNIR-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide
CID 43174613
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]propanamide
CID 43279005
2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid
CID 83037756
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-methylpropanamide
CID 54930374
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-cyclopropylpropanamide
CID 60905806
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
CID 63949294
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43471427
[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine
CID 64748065
[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 63861212
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid
CID 64660569
2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
CID 63055961
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide?
The IUPAC name of 2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide (CID 43366644) is 2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide is CCOc1cccc(CN)c1OC(C)C(N)=O.
What is the InChIKey of 2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide?
The InChIKey is XFSXLTVUBGCNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-16-10-6-4-5-9(7-13)11(10)17-8(2)12(14)15/h4-6,8H,3,7,13H2,1-2H3,(H2,14,15).
What are the key properties of 2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide?
2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide is sourced from PubChem (CID 43366644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).