methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate

C15H17NO3 — CID 43219084

IUPACmethyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCCc2ccccc2)o1
InChIInChI=1S/C15H17NO3/c1-18-15(17)14-8-7-13(19-14)11-16-10-9-12-5-3-2-4-6-12/h2-8,16H,9-11H2,1H3
InChIKeyNXCFDOCLFDYVLL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.40
Rot. Bonds6

About methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate

methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate (PubChem CID 43219084) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
PubChem CID43219084
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCCc2ccccc2)o1
InChIInChI=1S/C15H17NO3/c1-18-15(17)14-8-7-13(19-14)11-16-10-9-12-5-3-2-4-6-12/h2-8,16H,9-11H2,1H3
InChIKeyNXCFDOCLFDYVLL-UHFFFAOYSA-N
XLogP2.40
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[(2-phenylsulfanylethylamino)methyl]furan-2-carboxylate
CID 60661867
N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine
CID 62346664
methyl 5-[(3-methylsulfinylpropylamino)methyl]furan-2-carboxylate
CID 115907598
methyl 5-[(pyridin-2-ylmethylamino)methyl]furan-2-carboxylate
CID 43219093
methyl 5-[[4-(2-methoxyethoxy)butylamino]methyl]furan-2-carboxylate
CID 115905245
methyl 5-[(hex-5-ynylamino)methyl]furan-2-carboxylate
CID 103923630
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-carboxylate
CID 103920409
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
methyl 5-(benzylsulfonylmethyl)furan-2-carboxylate
CID 127244389

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate (CID 43219084) is methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate is COC(=O)c1ccc(CNCCc2ccccc2)o1.
What is the InChIKey of methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate?
The InChIKey is NXCFDOCLFDYVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-15(17)14-8-7-13(19-14)11-16-10-9-12-5-3-2-4-6-12/h2-8,16H,9-11H2,1H3.
What are the key properties of methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate?
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43219084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).