2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide

C13H19ClN2O3 — CID 104664126

IUPAC2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1c(CN)cc(Cl)cc1OC
InChIInChI=1S/C13H19ClN2O3/c1-4-16(2)12(17)8-19-13-9(7-15)5-10(14)6-11(13)18-3/h5-6H,4,7-8,15H2,1-3H3
InChIKeyYLPHGMJRZDULAY-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.66
Rot. Bonds6

About 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide

2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide (PubChem CID 104664126) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide
PubChem CID104664126
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1c(CN)cc(Cl)cc1OC
InChIInChI=1S/C13H19ClN2O3/c1-4-16(2)12(17)8-19-13-9(7-15)5-10(14)6-11(13)18-3/h5-6H,4,7-8,15H2,1-3H3
InChIKeyYLPHGMJRZDULAY-UHFFFAOYSA-N
XLogP1.66
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104664187
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 104666718
2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 104664230
(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
CID 104664304
[5-chloro-3-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 104664190
3-bromo-4-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43622520
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanamine
CID 104664287
2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide
CID 43141794
(2-but-2-ynoxy-5-chloro-3-methoxyphenyl)methanamine
CID 104664143
butyl 2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]acetate
CID 104666722
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43471479
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666924

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide (CID 104664126) is 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1c(CN)cc(Cl)cc1OC.
What is the InChIKey of 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide?
The InChIKey is YLPHGMJRZDULAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-4-16(2)12(17)8-19-13-9(7-15)5-10(14)6-11(13)18-3/h5-6H,4,7-8,15H2,1-3H3.
What are the key properties of 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide?
2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide has a molecular weight of 286.76 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104664126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).