methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate

C13H18ClNO4 — CID 63058240

IUPACmethyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
SMILESCOCCNCc1cc(Cl)ccc1OCC(=O)OC
InChIInChI=1S/C13H18ClNO4/c1-17-6-5-15-8-10-7-11(14)3-4-12(10)19-9-13(16)18-2/h3-4,7,15H,5-6,8-9H2,1-2H3
InChIKeyADHZTIONKNSBSS-UHFFFAOYSA-N
MW287.74 g/mol
LogP1.63
Rot. Bonds8

About methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate

methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate (PubChem CID 63058240) has the molecular formula C13H18ClNO4 and a molecular weight of 287.74 g/mol. Its IUPAC name is methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
PubChem CID63058240
Molecular FormulaC13H18ClNO4
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Namemethyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
SMILESCOCCNCc1cc(Cl)ccc1OCC(=O)OC
InChIInChI=1S/C13H18ClNO4/c1-17-6-5-15-8-10-7-11(14)3-4-12(10)19-9-13(16)18-2/h3-4,7,15H,5-6,8-9H2,1-2H3
InChIKeyADHZTIONKNSBSS-UHFFFAOYSA-N
XLogP1.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63056038
methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63060282
methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenyl]sulfanylacetate
CID 114864381
methyl 2-(4-chloro-2-prop-2-enylphenoxy)acetate
CID 69275051
propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate
CID 63324667
2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053988
N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine
CID 114855689
methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate
CID 63324887
methyl 2-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]sulfanylacetate
CID 114864370
2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide
CID 114848156
2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17054022
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate (CID 63058240) is methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate is COCCNCc1cc(Cl)ccc1OCC(=O)OC.
What is the InChIKey of methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate?
The InChIKey is ADHZTIONKNSBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4/c1-17-6-5-15-8-10-7-11(14)3-4-12(10)19-9-13(16)18-2/h3-4,7,15H,5-6,8-9H2,1-2H3.
What are the key properties of methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate?
methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate has a molecular weight of 287.74 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate is sourced from PubChem (CID 63058240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).