methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate

C16H17NO4 — CID 106954943

IUPACmethyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(N)cc1OCc1cccc(OC)c1
InChIInChI=1S/C16H17NO4/c1-19-13-5-3-4-11(8-13)10-21-15-9-12(17)6-7-14(15)16(18)20-2/h3-9H,10,17H2,1-2H3
InChIKeyRDFNGZLQPGQNOB-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.64
Rot. Bonds5

About methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate

methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate (PubChem CID 106954943) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
PubChem CID106954943
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(N)cc1OCc1cccc(OC)c1
InChIInChI=1S/C16H17NO4/c1-19-13-5-3-4-11(8-13)10-21-15-9-12(17)6-7-14(15)16(18)20-2/h3-9H,10,17H2,1-2H3
InChIKeyRDFNGZLQPGQNOB-UHFFFAOYSA-N
XLogP2.64
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.64
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

5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
methyl 4-amino-2-[(4-methylphenyl)methoxy]benzoate
CID 106955007
methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate
CID 112828222
methyl 4-amino-2-(pyridin-4-ylmethoxy)benzoate
CID 106955044
methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate
CID 106955195
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709
methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate
CID 63986850
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986
ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 106955208
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
CID 55134763
methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate
CID 106955000

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate?
The IUPAC name of methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate (CID 106954943) is methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate.
What is the SMILES notation for methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate?
The canonical SMILES for methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate is COC(=O)c1ccc(N)cc1OCc1cccc(OC)c1.
What is the InChIKey of methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate?
The InChIKey is RDFNGZLQPGQNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-13-5-3-4-11(8-13)10-21-15-9-12(17)6-7-14(15)16(18)20-2/h3-9H,10,17H2,1-2H3.
What are the key properties of methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate?
methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate has a molecular weight of 287.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate is sourced from PubChem (CID 106954943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).