methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate

C17H21NO3 — CID 115461702

IUPACmethyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNC(C)Cc1ccco1
InChIInChI=1S/C17H21NO3/c1-13(10-16-8-5-9-21-16)18-12-15-7-4-3-6-14(15)11-17(19)20-2/h3-9,13,18H,10-12H2,1-2H3
InChIKeyXYLPBZALXWAWFS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.72
Rot. Bonds7

About methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate

methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate (PubChem CID 115461702) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate
PubChem CID115461702
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNC(C)Cc1ccco1
InChIInChI=1S/C17H21NO3/c1-13(10-16-8-5-9-21-16)18-12-15-7-4-3-6-14(15)11-17(19)20-2/h3-9,13,18H,10-12H2,1-2H3
InChIKeyXYLPBZALXWAWFS-UHFFFAOYSA-N
XLogP2.72
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 63085668
methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate
CID 115461693
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 104791634
methyl 5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1H-pyrrole-2-carboxylate
CID 79416034
2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline
CID 115413933
methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate
CID 115461745
1-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259587
3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide
CID 102664181
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
methyl (E)-4-[1-(furan-2-yl)propan-2-ylamino]-2-methylbut-2-enoate
CID 103242394
methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate
CID 115461620
1-(furan-2-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43783211

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate (CID 115461702) is methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate is COC(=O)Cc1ccccc1CNC(C)Cc1ccco1.
What is the InChIKey of methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate?
The InChIKey is XYLPBZALXWAWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13(10-16-8-5-9-21-16)18-12-15-7-4-3-6-14(15)11-17(19)20-2/h3-9,13,18H,10-12H2,1-2H3.
What are the key properties of methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate?
methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate has a molecular weight of 287.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate is sourced from PubChem (CID 115461702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).