methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate

C15H17NO3 — CID 43222319

IUPACmethyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNc2ccccc2C)oc1C
InChIInChI=1S/C15H17NO3/c1-10-6-4-5-7-14(10)16-9-12-8-13(11(2)19-12)15(17)18-3/h4-8,16H,9H2,1-3H3
InChIKeyVUNUITZQSGAQHN-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.30
Rot. Bonds4

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

methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate (PubChem CID 43222319) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
PubChem CID43222319
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNc2ccccc2C)oc1C
InChIInChI=1S/C15H17NO3/c1-10-6-4-5-7-14(10)16-9-12-8-13(11(2)19-12)15(17)18-3/h4-8,16H,9H2,1-3H3
InChIKeyVUNUITZQSGAQHN-UHFFFAOYSA-N
XLogP3.30
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222413
methyl 5-[(2-chloro-6-methylanilino)methyl]-2-methylfuran-3-carboxylate
CID 66252438
methyl 5-[(2-chloro-4-methylanilino)methyl]-2-methylfuran-3-carboxylate
CID 37477190
methyl 5-[(4-chloro-2-iodoanilino)methyl]-2-methylfuran-3-carboxylate
CID 107631953
methyl 5-[(3,5-dimethylanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222394
methyl 5-[(3-iodoanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222423
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate
CID 78914081
methyl 5-[(5-bromo-2-cyanoanilino)methyl]-2-methylfuran-3-carboxylate
CID 107797435
methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate
CID 113253716
methyl 2-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78789914
methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 103830750

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate (CID 43222319) is methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate is COC(=O)c1cc(CNc2ccccc2C)oc1C.
What is the InChIKey of methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate?
The InChIKey is VUNUITZQSGAQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-6-4-5-7-14(10)16-9-12-8-13(11(2)19-12)15(17)18-3/h4-8,16H,9H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate?
methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate is sourced from PubChem (CID 43222319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).