ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate

C14H19NO3 — CID 79226267

IUPACethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCC1COc2ccccc21
InChIInChI=1S/C14H19NO3/c1-3-17-14(16)10(2)15-8-11-9-18-13-7-5-4-6-12(11)13/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyUZNDKEHCURVXEQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.70
Rot. Bonds5

About ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate

ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate (PubChem CID 79226267) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate
PubChem CID79226267
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate
SMILESCCOC(=O)C(C)NCC1COc2ccccc21
InChIInChI=1S/C14H19NO3/c1-3-17-14(16)10(2)15-8-11-9-18-13-7-5-4-6-12(11)13/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyUZNDKEHCURVXEQ-UHFFFAOYSA-N
XLogP1.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate
CID 115628852
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine
CID 79226351
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-iodo-3-methylbutan-2-amine
CID 107859372
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81383137
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
CID 110751726
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-2-amine
CID 79226758
methyl (2S)-2-(N-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]anilino)propanoate
CID 70369283
2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid
CID 79218626

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate?
The IUPAC name of ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate (CID 79226267) is ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate is CCOC(=O)C(C)NCC1COc2ccccc21.
What is the InChIKey of ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate?
The InChIKey is UZNDKEHCURVXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-17-14(16)10(2)15-8-11-9-18-13-7-5-4-6-12(11)13/h4-7,10-11,15H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate?
ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate has a molecular weight of 249.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate is sourced from PubChem (CID 79226267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).