methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate

C16H19NO4 — CID 43218635

IUPACmethyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(C)c2ccccc2OC)o1
InChIInChI=1S/C16H19NO4/c1-11(13-6-4-5-7-14(13)19-2)17-10-12-8-9-15(21-12)16(18)20-3/h4-9,11,17H,10H2,1-3H3
InChIKeyYGCXBLXSQYPGAE-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.93
Rot. Bonds6

About methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate

methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate (PubChem CID 43218635) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
PubChem CID43218635
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(C)c2ccccc2OC)o1
InChIInChI=1S/C16H19NO4/c1-11(13-6-4-5-7-14(13)19-2)17-10-12-8-9-15(21-12)16(18)20-3/h4-9,11,17H,10H2,1-3H3
InChIKeyYGCXBLXSQYPGAE-UHFFFAOYSA-N
XLogP2.93
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397924
methyl 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367481
5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid
CID 63316923
methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate
CID 43222470
methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81354745
methyl 5-[(2-propan-2-ylanilino)methyl]furan-2-carboxylate
CID 43229669
methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate
CID 81405878
methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]-1H-pyrrole-2-carboxylate
CID 79413142
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
5-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103257716
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 81383105
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65314992

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate (CID 43218635) is methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC(C)c2ccccc2OC)o1.
What is the InChIKey of methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate?
The InChIKey is YGCXBLXSQYPGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(13-6-4-5-7-14(13)19-2)17-10-12-8-9-15(21-12)16(18)20-3/h4-9,11,17H,10H2,1-3H3.
What are the key properties of methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate?
methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43218635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).