methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate

C16H19NO4 — CID 104585813

IUPACmethyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCc2ccccc2OC)c1
InChIInChI=1S/C16H19NO4/c1-19-15-6-4-3-5-12(15)7-8-17-10-14-9-13(11-21-14)16(18)20-2/h3-6,9,11,17H,7-8,10H2,1-2H3
InChIKeyCYVZPTYGXYIJPA-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.41
Rot. Bonds7

About methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate

methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate (PubChem CID 104585813) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate
PubChem CID104585813
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCc2ccccc2OC)c1
InChIInChI=1S/C16H19NO4/c1-19-15-6-4-3-5-12(15)7-8-17-10-14-9-13(11-21-14)16(18)20-2/h3-6,9,11,17H,7-8,10H2,1-2H3
InChIKeyCYVZPTYGXYIJPA-UHFFFAOYSA-N
XLogP2.41
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104607925
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106261771
methyl 5-[[(2-nitrophenyl)methylamino]methyl]furan-3-carboxylate
CID 104586002
methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate
CID 104585593
methyl 5-[(2-thiophen-3-ylethylamino)methyl]furan-3-carboxylate
CID 104585912
methyl 5-[[[3-(dimethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586143
methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
CID 104585806
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
2-[[2-(2-methoxyphenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17207529
methyl 5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-3-carboxylate
CID 104585949
4-[[2-(2-methoxyphenyl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 106261805
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate
CID 104585866

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate (CID 104585813) is methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate is COC(=O)c1coc(CNCCc2ccccc2OC)c1.
What is the InChIKey of methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate?
The InChIKey is CYVZPTYGXYIJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-19-15-6-4-3-5-12(15)7-8-17-10-14-9-13(11-21-14)16(18)20-2/h3-6,9,11,17H,7-8,10H2,1-2H3.
What are the key properties of methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate?
methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104585813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).