methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate

C16H17NO4 — CID 104825496

IUPACmethyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
SMILESCOC(=O)c1c(N)cccc1COc1ccccc1CO
InChIInChI=1S/C16H17NO4/c1-20-16(19)15-12(6-4-7-13(15)17)10-21-14-8-3-2-5-11(14)9-18/h2-8,18H,9-10,17H2,1H3
InChIKeyDOWWLHSQRIZNCS-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.13
Rot. Bonds5

About methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate

methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate (PubChem CID 104825496) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
PubChem CID104825496
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
SMILESCOC(=O)c1c(N)cccc1COc1ccccc1CO
InChIInChI=1S/C16H17NO4/c1-20-16(19)15-12(6-4-7-13(15)17)10-21-14-8-3-2-5-11(14)9-18/h2-8,18H,9-10,17H2,1H3
InChIKeyDOWWLHSQRIZNCS-UHFFFAOYSA-N
XLogP2.13
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 104825495
methyl 2-amino-6-[(2-methylsulfanylphenoxy)methyl]benzoate
CID 104825492
methyl 2-amino-6-[(2-methylphenyl)methoxy]benzoate
CID 107341726
methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107341836
methyl 2-amino-6-[(2,4-dimethylphenoxy)methyl]benzoate
CID 104825290
methyl 2-amino-6-[(2-bromo-4-methylphenoxy)methyl]benzoate
CID 104825390
methyl 2-amino-6-[(3,5-difluorophenoxy)methyl]benzoate
CID 104825483
methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate
CID 113457440
methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate
CID 104825360
methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
CID 104825327
methyl 2-amino-6-(3-amino-3-oxopropoxy)benzoate
CID 107341796
methyl 2-amino-6-[(2-bromo-5-fluorophenyl)methoxy]benzoate
CID 107341847

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate?
The IUPAC name of methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate (CID 104825496) is methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate?
The canonical SMILES for methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate is COC(=O)c1c(N)cccc1COc1ccccc1CO.
What is the InChIKey of methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate?
The InChIKey is DOWWLHSQRIZNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-20-16(19)15-12(6-4-7-13(15)17)10-21-14-8-3-2-5-11(14)9-18/h2-8,18H,9-10,17H2,1H3.
What are the key properties of methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate?
methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate has a molecular weight of 287.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate is sourced from PubChem (CID 104825496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).