methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate

C16H18N2O3 — CID 103175372

IUPACmethyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate
SMILESCCc1nc(C)ccc1Oc1c(N)cccc1C(=O)OC
InChIInChI=1S/C16H18N2O3/c1-4-13-14(9-8-10(2)18-13)21-15-11(16(19)20-3)6-5-7-12(15)17/h5-9H,4,17H2,1-3H3
InChIKeyXRUGMWZYJQZNIN-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.11
Rot. Bonds4

About methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate

methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate (PubChem CID 103175372) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate
PubChem CID103175372
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate
SMILESCCc1nc(C)ccc1Oc1c(N)cccc1C(=O)OC
InChIInChI=1S/C16H18N2O3/c1-4-13-14(9-8-10(2)18-13)21-15-11(16(19)20-3)6-5-7-12(15)17/h5-9H,4,17H2,1-3H3
InChIKeyXRUGMWZYJQZNIN-UHFFFAOYSA-N
XLogP3.11
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid
CID 103174512
methyl 3-amino-2-(3-ethylphenoxy)benzoate
CID 115935681
ethyl 3-amino-2-(2-ethylphenoxy)benzoate
CID 115935732
methyl 3-amino-2-(3,5-dimethylphenoxy)benzoate
CID 115935607
ethyl 3-amino-2-(2-bromophenoxy)benzoate
CID 115935679
methyl 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine-2-carboxylate
CID 103174503
2-amino-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzamide
CID 103175349
ethyl 3-amino-2-(2,4-difluorophenoxy)benzoate
CID 115935561
methyl 3-amino-2-(2-ethoxyethoxy)benzoate
CID 112579638
4-amino-3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzamide
CID 103174395
methyl 3-amino-2-(1-propylpyrazol-4-yl)oxybenzoate
CID 116802581
5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 103175141

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate (CID 103175372) is methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate is CCc1nc(C)ccc1Oc1c(N)cccc1C(=O)OC.
What is the InChIKey of methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate?
The InChIKey is XRUGMWZYJQZNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-13-14(9-8-10(2)18-13)21-15-11(16(19)20-3)6-5-7-12(15)17/h5-9H,4,17H2,1-3H3.
What are the key properties of methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate?
methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate has a molecular weight of 286.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate is sourced from PubChem (CID 103175372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).