methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate

C15H21NO3 — CID 43774755

IUPACmethyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate
SMILESCCC(NCCC(=O)OC)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H21NO3/c1-3-13(16-8-6-15(17)18-2)11-4-5-14-12(10-11)7-9-19-14/h4-5,10,13,16H,3,6-9H2,1-2H3
InChIKeyJPUKMHPCIRLCQQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.23
Rot. Bonds6

About methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate

methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate (PubChem CID 43774755) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate
PubChem CID43774755
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate
SMILESCCC(NCCC(=O)OC)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H21NO3/c1-3-13(16-8-6-15(17)18-2)11-4-5-14-12(10-11)7-9-19-14/h4-5,10,13,16H,3,6-9H2,1-2H3
InChIKeyJPUKMHPCIRLCQQ-UHFFFAOYSA-N
XLogP2.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-propoxypropyl)propan-1-amine
CID 82941487
2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide
CID 104926706
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43768025
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716082
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pent-4-yn-1-amine
CID 103786894
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol
CID 55084367
N-(2-cyclohexylethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 63450791
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate?
The IUPAC name of methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate (CID 43774755) is methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate.
What is the SMILES notation for methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate?
The canonical SMILES for methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate is CCC(NCCC(=O)OC)c1ccc2c(c1)CCO2.
What is the InChIKey of methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate?
The InChIKey is JPUKMHPCIRLCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-13(16-8-6-15(17)18-2)11-4-5-14-12(10-11)7-9-19-14/h4-5,10,13,16H,3,6-9H2,1-2H3.
What are the key properties of methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate?
methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate is sourced from PubChem (CID 43774755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).