methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate

C17H19NO3 — CID 43321572

IUPACmethyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate
SMILESCOC(=O)c1ccc(NCc2ccc(C3CC3C)o2)cc1
InChIInChI=1S/C17H19NO3/c1-11-9-15(11)16-8-7-14(21-16)10-18-13-5-3-12(4-6-13)17(19)20-2/h3-8,11,15,18H,9-10H2,1-2H3
InChIKeyGIJMTZQWGBXFPX-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.80
Rot. Bonds5

About methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate

methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate (PubChem CID 43321572) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate
PubChem CID43321572
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate
SMILESCOC(=O)c1ccc(NCc2ccc(C3CC3C)o2)cc1
InChIInChI=1S/C17H19NO3/c1-11-9-15(11)16-8-7-14(21-16)10-18-13-5-3-12(4-6-13)17(19)20-2/h3-8,11,15,18H,9-10H2,1-2H3
InChIKeyGIJMTZQWGBXFPX-UHFFFAOYSA-N
XLogP3.80
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate with MolForge

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Related Compounds

methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate
CID 41237032
4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzonitrile
CID 43195287
3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43107978
methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
CID 60780737
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193593
tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate
CID 112731385
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
[3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol
CID 43715050
methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate
CID 54917626
2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine
CID 43690494

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate?
The IUPAC name of methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate (CID 43321572) is methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate.
What is the SMILES notation for methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate?
The canonical SMILES for methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate is COC(=O)c1ccc(NCc2ccc(C3CC3C)o2)cc1.
What is the InChIKey of methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate?
The InChIKey is GIJMTZQWGBXFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-9-15(11)16-8-7-14(21-16)10-18-13-5-3-12(4-6-13)17(19)20-2/h3-8,11,15,18H,9-10H2,1-2H3.
What are the key properties of methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate?
methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate has a molecular weight of 285.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate is sourced from PubChem (CID 43321572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).