methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate

C16H19NO4 — CID 104609167

IUPACmethyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CN[C@H](C)c2cccc(OC)c2)c1
InChIInChI=1S/C16H19NO4/c1-11(12-5-4-6-14(7-12)19-2)17-9-15-8-13(10-21-15)16(18)20-3/h4-8,10-11,17H,9H2,1-3H3/t11-/m1/s1
InChIKeyZLIQBTHVWCUOTN-LLVKDONJSA-N
MW289.33 g/mol
LogP2.93
Rot. Bonds6

About methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate

methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate (PubChem CID 104609167) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate
PubChem CID104609167
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CN[C@H](C)c2cccc(OC)c2)c1
InChIInChI=1S/C16H19NO4/c1-11(12-5-4-6-14(7-12)19-2)17-9-15-8-13(10-21-15)16(18)20-3/h4-8,10-11,17H,9H2,1-3H3/t11-/m1/s1
InChIKeyZLIQBTHVWCUOTN-LLVKDONJSA-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

Analyze methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81354745
methyl 5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]furan-3-carboxylate
CID 114987217
methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 60944540
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103258045
4-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]benzoic acid
CID 81354482
2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103258081
1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 54863619
methyl 5-[[(1-amino-1-oxopropan-2-yl)amino]methyl]furan-3-carboxylate
CID 104586651
3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 103258080
N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 54863574
2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210619
(1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81354737

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate (CID 104609167) is methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate is COC(=O)c1coc(CN[C@H](C)c2cccc(OC)c2)c1.
What is the InChIKey of methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate?
The InChIKey is ZLIQBTHVWCUOTN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(12-5-4-6-14(7-12)19-2)17-9-15-8-13(10-21-15)16(18)20-3/h4-8,10-11,17H,9H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate?
methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-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-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104609167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).