methyl 2-(2-aminoethoxy)-4-chlorobenzoate

C10H12ClNO3 — CID 139394772

IUPACmethyl 2-(2-aminoethoxy)-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1OCCN
InChIInChI=1S/C10H12ClNO3/c1-14-10(13)8-3-2-7(11)6-9(8)15-5-4-12/h2-3,6H,4-5,12H2,1H3
InChIKeyXPUHCDVOAXZVKH-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.46
Rot. Bonds4

About methyl 2-(2-aminoethoxy)-4-chlorobenzoate

methyl 2-(2-aminoethoxy)-4-chlorobenzoate (PubChem CID 139394772) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is methyl 2-(2-aminoethoxy)-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-(2-aminoethoxy)-4-chlorobenzoate
PubChem CID139394772
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Namemethyl 2-(2-aminoethoxy)-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1OCCN
InChIInChI=1S/C10H12ClNO3/c1-14-10(13)8-3-2-7(11)6-9(8)15-5-4-12/h2-3,6H,4-5,12H2,1H3
InChIKeyXPUHCDVOAXZVKH-UHFFFAOYSA-N
XLogP1.46
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-butoxy-4-chlorobenzoate
CID 78846722
methyl 2-(2-aminoethoxy)benzoate
CID 14273287
(5-chloro-2-methoxycarbonylphenoxy)boronic acid
CID 142796908
methyl 5-chloro-2-(2-chloroethoxy)benzoate
CID 66846837
1-chloro-4-methylbenzene;methyl 3-(2-aminoethoxy)pyridine-4-carboxylate
CID 145267949
methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride
CID 69211241
4-chloro-2-[2-(methylamino)ethoxy]benzamide
CID 63082636
methyl 4-(2-carbamothioyl-5-chlorophenoxy)butanoate
CID 114323041
methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate
CID 91190692
methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate
CID 47021954
methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
CID 47083412
2-methoxyethyl 4-chloro-2-hydroperoxybenzoate;vanadium
CID 150366531

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminoethoxy)-4-chlorobenzoate?
The IUPAC name of methyl 2-(2-aminoethoxy)-4-chlorobenzoate (CID 139394772) is methyl 2-(2-aminoethoxy)-4-chlorobenzoate.
What is the SMILES notation for methyl 2-(2-aminoethoxy)-4-chlorobenzoate?
The canonical SMILES for methyl 2-(2-aminoethoxy)-4-chlorobenzoate is COC(=O)c1ccc(Cl)cc1OCCN.
What is the InChIKey of methyl 2-(2-aminoethoxy)-4-chlorobenzoate?
The InChIKey is XPUHCDVOAXZVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-14-10(13)8-3-2-7(11)6-9(8)15-5-4-12/h2-3,6H,4-5,12H2,1H3.
What are the key properties of methyl 2-(2-aminoethoxy)-4-chlorobenzoate?
methyl 2-(2-aminoethoxy)-4-chlorobenzoate has a molecular weight of 229.66 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminoethoxy)-4-chlorobenzoate is sourced from PubChem (CID 139394772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).