methyl 4-[1-(furan-2-yl)ethylamino]benzoate

C14H15NO3 — CID 43139128

IUPACmethyl 4-[1-(furan-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1ccc(NC(C)c2ccco2)cc1
InChIInChI=1S/C14H15NO3/c1-10(13-4-3-9-18-13)15-12-7-5-11(6-8-12)14(16)17-2/h3-10,15H,1-2H3
InChIKeyPGWQDPSFGMLKEF-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.24
Rot. Bonds4

About methyl 4-[1-(furan-2-yl)ethylamino]benzoate

methyl 4-[1-(furan-2-yl)ethylamino]benzoate (PubChem CID 43139128) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 4-[1-(furan-2-yl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-(furan-2-yl)ethylamino]benzoate
PubChem CID43139128
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 4-[1-(furan-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1ccc(NC(C)c2ccco2)cc1
InChIInChI=1S/C14H15NO3/c1-10(13-4-3-9-18-13)15-12-7-5-11(6-8-12)14(16)17-2/h3-10,15H,1-2H3
InChIKeyPGWQDPSFGMLKEF-UHFFFAOYSA-N
XLogP3.24
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1-phenylethylamino)benzoate
CID 43217232
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 43193128
methyl 3-bromo-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzoate
CID 102766785
2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid
CID 60989949
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methoxyacetamide
CID 43713201
methyl 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]furan-2-carboxylate
CID 103260078
methyl 5-[1-[1-(furan-2-yl)ethylamino]ethyl]furan-2-carboxylate
CID 103616123
methyl 3-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]-4-methylbenzoate
CID 8919600
N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 43196365
4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61199818
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide
CID 43725755
4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 82857963

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(furan-2-yl)ethylamino]benzoate?
The IUPAC name of methyl 4-[1-(furan-2-yl)ethylamino]benzoate (CID 43139128) is methyl 4-[1-(furan-2-yl)ethylamino]benzoate.
What is the SMILES notation for methyl 4-[1-(furan-2-yl)ethylamino]benzoate?
The canonical SMILES for methyl 4-[1-(furan-2-yl)ethylamino]benzoate is COC(=O)c1ccc(NC(C)c2ccco2)cc1.
What is the InChIKey of methyl 4-[1-(furan-2-yl)ethylamino]benzoate?
The InChIKey is PGWQDPSFGMLKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(13-4-3-9-18-13)15-12-7-5-11(6-8-12)14(16)17-2/h3-10,15H,1-2H3.
What are the key properties of methyl 4-[1-(furan-2-yl)ethylamino]benzoate?
methyl 4-[1-(furan-2-yl)ethylamino]benzoate has a molecular weight of 245.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(furan-2-yl)ethylamino]benzoate is sourced from PubChem (CID 43139128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).