methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate

C15H17NO4 — CID 106484958

IUPACmethyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(COc2ccc(CN)cc2)oc1C
InChIInChI=1S/C15H17NO4/c1-10-14(15(17)18-2)7-13(20-10)9-19-12-5-3-11(8-16)4-6-12/h3-7H,8-9,16H2,1-2H3
InChIKeyFCGLMLFXYLKBFT-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.41
Rot. Bonds5

About methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate (PubChem CID 106484958) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate
PubChem CID106484958
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(COc2ccc(CN)cc2)oc1C
InChIInChI=1S/C15H17NO4/c1-10-14(15(17)18-2)7-13(20-10)9-19-12-5-3-11(8-16)4-6-12/h3-7H,8-9,16H2,1-2H3
InChIKeyFCGLMLFXYLKBFT-UHFFFAOYSA-N
XLogP2.41
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 9019518
methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 78767749
methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119293494
methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7625888
methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate
CID 9331544
methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
CID 2097734
methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate
CID 7705728
methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate
CID 18777229
methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate
CID 55612622
methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78790048

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate (CID 106484958) is methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(COc2ccc(CN)cc2)oc1C.
What is the InChIKey of methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is FCGLMLFXYLKBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10-14(15(17)18-2)7-13(20-10)9-19-12-5-3-11(8-16)4-6-12/h3-7H,8-9,16H2,1-2H3.
What are the key properties of methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 106484958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).