methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate

C16H19NO4 — CID 81354745

IUPACmethyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN[C@@H](C)c2cccc(OC)c2)o1
InChIInChI=1S/C16H19NO4/c1-11(12-5-4-6-13(9-12)19-2)17-10-14-7-8-15(21-14)16(18)20-3/h4-9,11,17H,10H2,1-3H3/t11-/m0/s1
InChIKeyFINUYEXIPFBBCO-NSHDSACASA-N
MW289.33 g/mol
LogP2.93
Rot. Bonds6

About methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate

methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate (PubChem CID 81354745) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
PubChem CID81354745
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN[C@@H](C)c2cccc(OC)c2)o1
InChIInChI=1S/C16H19NO4/c1-11(12-5-4-6-13(9-12)19-2)17-10-14-7-8-15(21-14)16(18)20-3/h4-9,11,17H,10H2,1-3H3/t11-/m0/s1
InChIKeyFINUYEXIPFBBCO-NSHDSACASA-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-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367481
1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 54863619
N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 54863574
methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate
CID 104609167
4-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]benzoic acid
CID 81354482
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103258045
methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate
CID 81405878
methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 43218635
5-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 81373778
methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 60944540
methyl 5-[(1-thiophen-2-ylethylamino)methyl]furan-2-carboxylate
CID 43222470
2-methoxy-5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81354169

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate (CID 81354745) is methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN[C@@H](C)c2cccc(OC)c2)o1.
What is the InChIKey of methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate?
The InChIKey is FINUYEXIPFBBCO-NSHDSACASA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(12-5-4-6-13(9-12)19-2)17-10-14-7-8-15(21-14)16(18)20-3/h4-9,11,17H,10H2,1-3H3/t11-/m0/s1.
What are the key properties of methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate?
methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]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-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 81354745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).