2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide

C12H18N2O3 — CID 43471479

IUPAC2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1cccc(CN)c1OCC(=O)N(C)C
InChIInChI=1S/C12H18N2O3/c1-14(2)11(15)8-17-12-9(7-13)5-4-6-10(12)16-3/h4-6H,7-8,13H2,1-3H3
InChIKeyAQOWMYPGMODPHU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.62
Rot. Bonds5

About 2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide

2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide (PubChem CID 43471479) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
PubChem CID43471479
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1cccc(CN)c1OCC(=O)N(C)C
InChIInChI=1S/C12H18N2O3/c1-14(2)11(15)8-17-12-9(7-13)5-4-6-10(12)16-3/h4-6H,7-8,13H2,1-3H3
InChIKeyAQOWMYPGMODPHU-UHFFFAOYSA-N
XLogP0.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 63056439
2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide
CID 82253483
3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
CID 55061826
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
2-[2-(hydroxymethyl)-6-methoxyphenoxy]acetamide
CID 964386
1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 60888797
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489248
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
CID 63949294
2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide
CID 121016369
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide (CID 43471479) is 2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide is COc1cccc(CN)c1OCC(=O)N(C)C.
What is the InChIKey of 2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide?
The InChIKey is AQOWMYPGMODPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(2)11(15)8-17-12-9(7-13)5-4-6-10(12)16-3/h4-6H,7-8,13H2,1-3H3.
What are the key properties of 2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide?
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 43471479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).