3-[3-(aminomethyl)phenoxy]-N-methylpropanamide

C11H16N2O2 — CID 62324722

IUPAC3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1cccc(CN)c1
InChIInChI=1S/C11H16N2O2/c1-13-11(14)5-6-15-10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8,12H2,1H3,(H,13,14)
InChIKeyQWWOXFPJSHCUDR-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.66
Rot. Bonds5

About 3-[3-(aminomethyl)phenoxy]-N-methylpropanamide

3-[3-(aminomethyl)phenoxy]-N-methylpropanamide (PubChem CID 62324722) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
PubChem CID62324722
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1cccc(CN)c1
InChIInChI=1S/C11H16N2O2/c1-13-11(14)5-6-15-10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8,12H2,1H3,(H,13,14)
InChIKeyQWWOXFPJSHCUDR-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
CID 63892226
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 62625154
3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324546
3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide
CID 106485112
3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
CID 62325770
3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide
CID 106485193
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
3-(3-ethylphenoxy)propanehydrazide
CID 63575003
N-methyl-5-(3-propylphenoxy)pentanamide
CID 173258739
3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
CID 63365492
methyl 6-[2-[2-[6-[3-(aminomethyl)phenoxy]hexoxy]ethoxy]ethoxy]hexanoate
CID 168970083

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[3-(aminomethyl)phenoxy]-N-methylpropanamide (CID 62324722) is 3-[3-(aminomethyl)phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[3-(aminomethyl)phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[3-(aminomethyl)phenoxy]-N-methylpropanamide is CNC(=O)CCOc1cccc(CN)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenoxy]-N-methylpropanamide?
The InChIKey is QWWOXFPJSHCUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-11(14)5-6-15-10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8,12H2,1H3,(H,13,14).
What are the key properties of 3-[3-(aminomethyl)phenoxy]-N-methylpropanamide?
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide has a molecular weight of 208.26 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenoxy]-N-methylpropanamide is sourced from PubChem (CID 62324722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).