2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide

C11H16N2O3 — CID 103566037

IUPAC2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide
SMILESCOc1cc(CN)cc(OC(C)C(N)=O)c1
InChIInChI=1S/C11H16N2O3/c1-7(11(13)14)16-10-4-8(6-12)3-9(5-10)15-2/h3-5,7H,6,12H2,1-2H3,(H2,13,14)
InChIKeyXBYIEDZXRMFPIU-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.41
Rot. Bonds5

About 2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide

2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide (PubChem CID 103566037) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide
PubChem CID103566037
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide
SMILESCOc1cc(CN)cc(OC(C)C(N)=O)c1
InChIInChI=1S/C11H16N2O3/c1-7(11(13)14)16-10-4-8(6-12)3-9(5-10)15-2/h3-5,7H,6,12H2,1-2H3,(H2,13,14)
InChIKeyXBYIEDZXRMFPIU-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-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide
CID 103565959
ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate
CID 103566157
2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid
CID 103566156
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688
2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
CID 79886751
2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 61269245
2-[(3,5-dimethoxyphenyl)methylamino]propanamide
CID 43402365
1,3,5-trimethoxybenzene;urea
CID 174919725
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 103566043
2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
CID 54931370
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanamide
CID 61268752

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide?
The IUPAC name of 2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide (CID 103566037) is 2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide.
What is the SMILES notation for 2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide?
The canonical SMILES for 2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide is COc1cc(CN)cc(OC(C)C(N)=O)c1.
What is the InChIKey of 2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide?
The InChIKey is XBYIEDZXRMFPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(11(13)14)16-10-4-8(6-12)3-9(5-10)15-2/h3-5,7H,6,12H2,1-2H3,(H2,13,14).
What are the key properties of 2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide?
2-[3-(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-[3-(aminomethyl)-5-methoxyphenoxy]propanamide is sourced from PubChem (CID 103566037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).