ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate

C16H23NO3 — CID 115882041

IUPACethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)CC1CCOc2ccccc21
InChIInChI=1S/C16H23NO3/c1-3-17(12-16(18)19-4-2)11-13-9-10-20-15-8-6-5-7-14(13)15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyDHYVVYLDABIMJJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.44
Rot. Bonds6

About ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate

ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate (PubChem CID 115882041) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate
PubChem CID115882041
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)CC1CCOc2ccccc21
InChIInChI=1S/C16H23NO3/c1-3-17(12-16(18)19-4-2)11-13-9-10-20-15-8-6-5-7-14(13)15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyDHYVVYLDABIMJJ-UHFFFAOYSA-N
XLogP2.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine
CID 113451131
2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol
CID 104770923
ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate
CID 115628852
N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propan-1-amine
CID 113451450
2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]-2-methylpropanoic acid
CID 104768917
ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)tetrazole-5-carboxylate
CID 104772435
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
ethyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-2-carboxylate
CID 102604479

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate?
The IUPAC name of ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate (CID 115882041) is ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate?
The canonical SMILES for ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate is CCOC(=O)CN(CC)CC1CCOc2ccccc21.
What is the InChIKey of ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate?
The InChIKey is DHYVVYLDABIMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-17(12-16(18)19-4-2)11-13-9-10-20-15-8-6-5-7-14(13)15/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate?
ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate has a molecular weight of 277.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate is sourced from PubChem (CID 115882041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).