methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate

C15H17NO3 — CID 62524358

IUPACmethyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNCc1ccc(C)o1
InChIInChI=1S/C15H17NO3/c1-11-7-8-13(19-11)10-16-9-12-5-3-4-6-14(12)15(17)18-2/h3-8,16H,9-10H2,1-2H3
InChIKeyKLXAMANOLOXNTQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.66
Rot. Bonds5

About methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate

methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate (PubChem CID 62524358) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate
PubChem CID62524358
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNCc1ccc(C)o1
InChIInChI=1S/C15H17NO3/c1-11-7-8-13(19-11)10-16-9-12-5-3-4-6-14(12)15(17)18-2/h3-8,16H,9-10H2,1-2H3
InChIKeyKLXAMANOLOXNTQ-UHFFFAOYSA-N
XLogP2.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]benzoate
CID 61281603
methyl 2-[(2-aminoethylamino)methyl]benzoate
CID 60889481
methyl 2-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60781352
methyl 2-[[(6-methyl-2-pyridinyl)methylamino]methyl]benzoate
CID 62322853
methyl 2-[(2-methylsulfanylethylamino)methyl]benzoate
CID 63981770
methyl 2-[(2-methylbutylamino)methyl]benzoate
CID 62693703
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
methyl 2-[(2,2-diethoxyethylamino)methyl]benzoate
CID 79547520
methyl 2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzoate
CID 103923800
methyl 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzoate
CID 61299463
methyl 2-[(2,5-dimethylpyrrol-1-yl)methyl]benzoate
CID 92670407
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate?
The IUPAC name of methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate (CID 62524358) is methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate?
The canonical SMILES for methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate is COC(=O)c1ccccc1CNCc1ccc(C)o1.
What is the InChIKey of methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate?
The InChIKey is KLXAMANOLOXNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-7-8-13(19-11)10-16-9-12-5-3-4-6-14(12)15(17)18-2/h3-8,16H,9-10H2,1-2H3.
What are the key properties of methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate?
methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate has a molecular weight of 259.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(5-methylfuran-2-yl)methylamino]methyl]benzoate is sourced from PubChem (CID 62524358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).