methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate

C16H19NO4 — CID 60944540

IUPACmethyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC(C)c1cccc(OC)c1
InChIInChI=1S/C16H19NO4/c1-11(12-5-4-6-14(9-12)19-2)17-10-13-7-8-21-15(13)16(18)20-3/h4-9,11,17H,10H2,1-3H3
InChIKeyUYMTWXYNYOPQNR-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.93
Rot. Bonds6

About methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate

methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate (PubChem CID 60944540) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
PubChem CID60944540
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNC(C)c1cccc(OC)c1
InChIInChI=1S/C16H19NO4/c1-11(12-5-4-6-14(9-12)19-2)17-10-13-7-8-21-15(13)16(18)20-3/h4-9,11,17H,10H2,1-3H3
InChIKeyUYMTWXYNYOPQNR-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

3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 103258080
methyl 3-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367682
methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate
CID 81402967
2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103258081
methyl 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylate
CID 104609167
methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81354745
methyl 3-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]furan-2-carboxylate
CID 103922966
(1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81354737
methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678
methyl 3-[(1-phenylbutylamino)methyl]furan-2-carboxylate
CID 43234815
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate (CID 60944540) is methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNC(C)c1cccc(OC)c1.
What is the InChIKey of methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate?
The InChIKey is UYMTWXYNYOPQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(12-5-4-6-14(9-12)19-2)17-10-13-7-8-21-15(13)16(18)20-3/h4-9,11,17H,10H2,1-3H3.
What are the key properties of methyl 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate?
methyl 3-[[1-(3-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 3-[[1-(3-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 60944540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).