3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide

C12H18N2O3 — CID 55061826

IUPAC3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1c(CN)cccc1OC
InChIInChI=1S/C12H18N2O3/c1-14-11(15)6-7-17-12-9(8-13)4-3-5-10(12)16-2/h3-5H,6-8,13H2,1-2H3,(H,14,15)
InChIKeyQFPPPECAPNNUIT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.67
Rot. Bonds6

About 3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide

3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide (PubChem CID 55061826) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
PubChem CID55061826
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1c(CN)cccc1OC
InChIInChI=1S/C12H18N2O3/c1-14-11(15)6-7-17-12-9(8-13)4-3-5-10(12)16-2/h3-5H,6-8,13H2,1-2H3,(H,14,15)
InChIKeyQFPPPECAPNNUIT-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 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 ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 62627529
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
CID 63949294
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43471479
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide
CID 62326107
3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide
CID 63056770
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 60888797
methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate
CID 112607628
3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112607866

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide?
The IUPAC name of 3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide (CID 55061826) is 3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide is CNC(=O)CCOc1c(CN)cccc1OC.
What is the InChIKey of 3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide?
The InChIKey is QFPPPECAPNNUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14-11(15)6-7-17-12-9(8-13)4-3-5-10(12)16-2/h3-5H,6-8,13H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide?
3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide is sourced from PubChem (CID 55061826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).