methyl 2-(2-aminoethoxy)benzoate

C10H13NO3 — CID 14273287

IUPACmethyl 2-(2-aminoethoxy)benzoate
SMILESCOC(=O)c1ccccc1OCCN
InChIInChI=1S/C10H13NO3/c1-13-10(12)8-4-2-3-5-9(8)14-7-6-11/h2-5H,6-7,11H2,1H3
InChIKeyOQIABXWGOWFBKD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.81
Rot. Bonds4

About methyl 2-(2-aminoethoxy)benzoate

methyl 2-(2-aminoethoxy)benzoate (PubChem CID 14273287) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 2-(2-aminoethoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-aminoethoxy)benzoate
PubChem CID14273287
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 2-(2-aminoethoxy)benzoate
SMILESCOC(=O)c1ccccc1OCCN
InChIInChI=1S/C10H13NO3/c1-13-10(12)8-4-2-3-5-9(8)14-7-6-11/h2-5H,6-7,11H2,1H3
InChIKeyOQIABXWGOWFBKD-UHFFFAOYSA-N
XLogP0.81
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
methyl 2-(4-bromobutoxy)benzoate
CID 11066070
methyl 2-(6-chlorohexoxy)benzoate
CID 55053094
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 2-[5-(9H-fluoren-9-yl)pentoxy]benzoate
CID 10452745
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 2-(4-methoxybut-2-enoxy)benzoate
CID 54063780
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminoethoxy)benzoate?
The IUPAC name of methyl 2-(2-aminoethoxy)benzoate (CID 14273287) is methyl 2-(2-aminoethoxy)benzoate.
What is the SMILES notation for methyl 2-(2-aminoethoxy)benzoate?
The canonical SMILES for methyl 2-(2-aminoethoxy)benzoate is COC(=O)c1ccccc1OCCN.
What is the InChIKey of methyl 2-(2-aminoethoxy)benzoate?
The InChIKey is OQIABXWGOWFBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-13-10(12)8-4-2-3-5-9(8)14-7-6-11/h2-5H,6-7,11H2,1H3.
What are the key properties of methyl 2-(2-aminoethoxy)benzoate?
methyl 2-(2-aminoethoxy)benzoate has a molecular weight of 195.22 g/mol, XLogP of 0.81, 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)benzoate is sourced from PubChem (CID 14273287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).