2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide

C13H20N2O3 — CID 61269246

IUPAC2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1cc(OC)ccc1CN
InChIInChI=1S/C13H20N2O3/c1-4-15-13(16)9(2)18-12-7-11(17-3)6-5-10(12)8-14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyNNKMPVUQOKWRDX-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.06
Rot. Bonds6

About 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide

2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide (PubChem CID 61269246) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide
PubChem CID61269246
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1cc(OC)ccc1CN
InChIInChI=1S/C13H20N2O3/c1-4-15-13(16)9(2)18-12-7-11(17-3)6-5-10(12)8-14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyNNKMPVUQOKWRDX-UHFFFAOYSA-N
XLogP1.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 61269245
N-ethyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]propanamide
CID 43276266
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylpropanamide
CID 61268519
N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide
CID 61267753
2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 60907071
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide
CID 61267387
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 61267293
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 61270005
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
CID 61267766
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43268118
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 61267389
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanamide
CID 61268752

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide?
The IUPAC name of 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide (CID 61269246) is 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1cc(OC)ccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide?
The InChIKey is NNKMPVUQOKWRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-15-13(16)9(2)18-12-7-11(17-3)6-5-10(12)8-14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide?
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide is sourced from PubChem (CID 61269246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).