[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride

C11H16Cl2N2O3 — CID 44665968

IUPAC[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride
SMILESC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1.[Cl-]
InChIInChI=1S/C11H15ClN2O3.ClH/c1-14-5-7-3-8(12)11(9(4-7)16-2)17-6-10(13)15;/h3-4,14H,5-6H2,1-2H3,(H2,13,15);1H
InChIKeyWSGWVUCIFLHZDJ-UHFFFAOYSA-N
MW295.17 g/mol
LogP-3.09
Rot. Bonds6

About [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride

[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride (PubChem CID 44665968) has the molecular formula C11H16Cl2N2O3 and a molecular weight of 295.17 g/mol. Its IUPAC name is [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride.

Molecular Properties

Compound Name[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride
PubChem CID44665968
Molecular FormulaC11H16Cl2N2O3
Molecular Weight295.17 g/mol
Exact Mass294.05
IUPAC Name[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride
SMILESC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1.[Cl-]
InChIInChI=1S/C11H15ClN2O3.ClH/c1-14-5-7-3-8(12)11(9(4-7)16-2)17-6-10(13)15;/h3-4,14H,5-6H2,1-2H3,(H2,13,15);1H
InChIKeyWSGWVUCIFLHZDJ-UHFFFAOYSA-N
XLogP-3.09
TPSA78.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 5-3.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium
CID 7632298
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 7632140
2-[4-[(3-aminoazetidin-1-yl)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 65244504
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7248442
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
2-[4-[(but-2-ynylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 115866328
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
CID 834045
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296
2-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride?
The IUPAC name of [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride (CID 44665968) is [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride.
What is the SMILES notation for [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride?
The canonical SMILES for [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride is C[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1.[Cl-].
What is the InChIKey of [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride?
The InChIKey is WSGWVUCIFLHZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3.ClH/c1-14-5-7-3-8(12)11(9(4-7)16-2)17-6-10(13)15;/h3-4,14H,5-6H2,1-2H3,(H2,13,15);1H.
What are the key properties of [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride?
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride has a molecular weight of 295.17 g/mol, XLogP of -3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride is sourced from PubChem (CID 44665968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).