methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate

C16H20N2O3 — CID 78914081

IUPACmethyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNc2cccc(N(C)C)c2)oc1C
InChIInChI=1S/C16H20N2O3/c1-11-15(16(19)20-4)9-14(21-11)10-17-12-6-5-7-13(8-12)18(2)3/h5-9,17H,10H2,1-4H3
InChIKeyNFJJZSOJJYROJN-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.05
Rot. Bonds5

About methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 78914081) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate
PubChem CID78914081
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNc2cccc(N(C)C)c2)oc1C
InChIInChI=1S/C16H20N2O3/c1-11-15(16(19)20-4)9-14(21-11)10-17-12-6-5-7-13(8-12)18(2)3/h5-9,17H,10H2,1-4H3
InChIKeyNFJJZSOJJYROJN-UHFFFAOYSA-N
XLogP3.05
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(3-iodoanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222423
methyl 5-[(3,5-dimethylanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222394
[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol
CID 113297533
methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
CID 43222319
methyl 5-[(2-chloro-6-methylanilino)methyl]-2-methylfuran-3-carboxylate
CID 66252438
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 43230989
methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 43231477
methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222413
methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate
CID 113253716
1-N-[(5-iodofuran-2-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297515
methyl 5-[(2-chloro-4-methylanilino)methyl]-2-methylfuran-3-carboxylate
CID 37477190

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate (CID 78914081) is methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNc2cccc(N(C)C)c2)oc1C.
What is the InChIKey of methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is NFJJZSOJJYROJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-15(16(19)20-4)9-14(21-11)10-17-12-6-5-7-13(8-12)18(2)3/h5-9,17H,10H2,1-4H3.
What are the key properties of methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 78914081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).