methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate

C15H15Cl2NO3 — CID 78836764

IUPACmethyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO3/c1-18(8-10-3-4-12(16)13(17)7-10)9-14-11(5-6-21-14)15(19)20-2/h3-7H,8-9H2,1-2H3
InChIKeyIFKNHZBLXRQYBD-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.01
Rot. Bonds5

About methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate

methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate (PubChem CID 78836764) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.20 g/mol. Its IUPAC name is methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate
PubChem CID78836764
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.20 g/mol
Exact Mass327.04
IUPAC Namemethyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO3/c1-18(8-10-3-4-12(16)13(17)7-10)9-14-11(5-6-21-14)15(19)20-2/h3-7H,8-9H2,1-2H3
InChIKeyIFKNHZBLXRQYBD-UHFFFAOYSA-N
XLogP4.01
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]furan-3-carboxylate
CID 18150303
methyl 2-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]furan-3-carboxylate
CID 55627952
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63584190
methyl 2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]furan-3-carboxylate
CID 115772273
methyl 4-[[(3,4-dichlorophenyl)methyl-methylsulfamoyl]methyl]benzoate
CID 112822994
(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982
2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide
CID 63568687
methyl 2-propylfuran-3-carboxylate
CID 15686850
methyl 4-(bromomethyl)-2-chlorobenzoate
CID 22072833
2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
methyl 2-[(E)-2-[2-[(3,4-dichlorophenyl)methyl]phenyl]ethenyl]benzoate
CID 22400852

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate (CID 78836764) is methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate?
The InChIKey is IFKNHZBLXRQYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c1-18(8-10-3-4-12(16)13(17)7-10)9-14-11(5-6-21-14)15(19)20-2/h3-7H,8-9H2,1-2H3.
What are the key properties of methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate?
methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate has a molecular weight of 328.20 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 78836764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).