ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate

C16H23NO3 — CID 104524790

IUPACethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate
SMILESCCOC(=O)CC1(N(C)C)c2ccccc2OCC1C
InChIInChI=1S/C16H23NO3/c1-5-19-15(18)10-16(17(3)4)12(2)11-20-14-9-7-6-8-13(14)16/h6-9,12H,5,10-11H2,1-4H3
InChIKeyQFJNOGYRHYZTLK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.43
Rot. Bonds4

About ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate

ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate (PubChem CID 104524790) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate
PubChem CID104524790
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate
SMILESCCOC(=O)CC1(N(C)C)c2ccccc2OCC1C
InChIInChI=1S/C16H23NO3/c1-5-19-15(18)10-16(17(3)4)12(2)11-20-14-9-7-6-8-13(14)16/h6-9,12H,5,10-11H2,1-4H3
InChIKeyQFJNOGYRHYZTLK-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate
CID 113422738
ethyl 3-methyl-4-(propylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524486
ethyl 3-methyl-4-(2-methylpropylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524499
ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate
CID 64539071
ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate
CID 65235737
2-[3-methyl-4-(propylamino)-2,3-dihydrochromen-4-yl]acetic acid
CID 104524864
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354
carbon monoxide;chromium(6+);ethyl 2-[8-(2-ethoxy-2-oxoethyl)-7,8-dihydroxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]acetate
CID 11986200
ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 153078138
4-[acetyl(ethyl)amino]-3-methyl-2,3-dihydrochromene-4-carboxylic acid
CID 104524520
4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524420
ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 138630636

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate?
The IUPAC name of ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate (CID 104524790) is ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate?
The canonical SMILES for ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate is CCOC(=O)CC1(N(C)C)c2ccccc2OCC1C.
What is the InChIKey of ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate?
The InChIKey is QFJNOGYRHYZTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-19-15(18)10-16(17(3)4)12(2)11-20-14-9-7-6-8-13(14)16/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate?
ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate has a molecular weight of 277.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate is sourced from PubChem (CID 104524790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).