2H-chromen-3-yl 2-(diethylamino)ethyl carbonate

C16H21NO4 — CID 144702560

IUPAC2H-chromen-3-yl 2-(diethylamino)ethyl carbonate
SMILESCCN(CC)CCOC(=O)OC1=Cc2ccccc2OC1
InChIInChI=1S/C16H21NO4/c1-3-17(4-2)9-10-19-16(18)21-14-11-13-7-5-6-8-15(13)20-12-14/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyIQBBRENMFMIKOD-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.91
Rot. Bonds6

About 2H-chromen-3-yl 2-(diethylamino)ethyl carbonate

2H-chromen-3-yl 2-(diethylamino)ethyl carbonate (PubChem CID 144702560) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2H-chromen-3-yl 2-(diethylamino)ethyl carbonate.

Molecular Properties

Compound Name2H-chromen-3-yl 2-(diethylamino)ethyl carbonate
PubChem CID144702560
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2H-chromen-3-yl 2-(diethylamino)ethyl carbonate
SMILESCCN(CC)CCOC(=O)OC1=Cc2ccccc2OC1
InChIInChI=1S/C16H21NO4/c1-3-17(4-2)9-10-19-16(18)21-14-11-13-7-5-6-8-15(13)20-12-14/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyIQBBRENMFMIKOD-UHFFFAOYSA-N
XLogP2.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2H-chromen-3-yloxycarbonyloxy)ethyl-trimethylazanium
CID 144702558
4-[[2H-chromen-3-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide
CID 122158224
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
2-(diethylamino)ethyl (4-nitrophenyl) carbonate
CID 23330309
2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
CID 23295003
[(2S)-1-amino-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745641
ethane;3-nitro-2H-chromene
CID 91346584
(7-methoxy-2H-chromen-3-yl) hydrogen carbonate
CID 70423170
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
N-(2-ethoxyphenyl)-2H-chromene-3-carboxamide
CID 7464979
[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8743856
2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate
CID 8744287

Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl 2-(diethylamino)ethyl carbonate?
The IUPAC name of 2H-chromen-3-yl 2-(diethylamino)ethyl carbonate (CID 144702560) is 2H-chromen-3-yl 2-(diethylamino)ethyl carbonate.
What is the SMILES notation for 2H-chromen-3-yl 2-(diethylamino)ethyl carbonate?
The canonical SMILES for 2H-chromen-3-yl 2-(diethylamino)ethyl carbonate is CCN(CC)CCOC(=O)OC1=Cc2ccccc2OC1.
What is the InChIKey of 2H-chromen-3-yl 2-(diethylamino)ethyl carbonate?
The InChIKey is IQBBRENMFMIKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-17(4-2)9-10-19-16(18)21-14-11-13-7-5-6-8-15(13)20-12-14/h5-8,11H,3-4,9-10,12H2,1-2H3.
What are the key properties of 2H-chromen-3-yl 2-(diethylamino)ethyl carbonate?
2H-chromen-3-yl 2-(diethylamino)ethyl carbonate has a molecular weight of 291.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl 2-(diethylamino)ethyl carbonate is sourced from PubChem (CID 144702560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).