methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate

C16H18N2O3 — CID 126832263

IUPACmethyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate
SMILESCOC(=O)COc1ccc(NCc2cccnc2)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-12-8-14(21-11-16(19)20-2)5-6-15(12)18-10-13-4-3-7-17-9-13/h3-9,18H,10-11H2,1-2H3
InChIKeyGIHHLBXMZVBVGV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.55
Rot. Bonds6

About methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate

methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate (PubChem CID 126832263) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate
PubChem CID126832263
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate
SMILESCOC(=O)COc1ccc(NCc2cccnc2)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-12-8-14(21-11-16(19)20-2)5-6-15(12)18-10-13-4-3-7-17-9-13/h3-9,18H,10-11H2,1-2H3
InChIKeyGIHHLBXMZVBVGV-UHFFFAOYSA-N
XLogP2.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-[(2-anilino-2-oxoethyl)amino]-3-methylphenoxy]acetate
CID 60538614
5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen
CID 144774827
methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate
CID 60538938
N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 154800116
methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate
CID 47064323
2-(2-methoxyethoxy)-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 60935301
methyl 2-[3-methyl-4-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenoxy]acetate
CID 60538721
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate
CID 1082995
methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride
CID 119299831
N-(2,4-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191360

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate?
The IUPAC name of methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate (CID 126832263) is methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate is COC(=O)COc1ccc(NCc2cccnc2)c(C)c1.
What is the InChIKey of methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate?
The InChIKey is GIHHLBXMZVBVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-8-14(21-11-16(19)20-2)5-6-15(12)18-10-13-4-3-7-17-9-13/h3-9,18H,10-11H2,1-2H3.
What are the key properties of methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate?
methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate has a molecular weight of 286.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate is sourced from PubChem (CID 126832263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).