4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid

C12H15NO3 — CID 105477435

IUPAC4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESCCNC1CCOc2ccc(C(=O)O)cc21
InChIInChI=1S/C12H15NO3/c1-2-13-10-5-6-16-11-4-3-8(12(14)15)7-9(10)11/h3-4,7,10,13H,2,5-6H2,1H3,(H,14,15)
InChIKeyVIOJUQBDICUWAC-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.82
Rot. Bonds3

About 4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid

4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid (PubChem CID 105477435) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid.

Molecular Properties

Compound Name4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
PubChem CID105477435
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESCCNC1CCOc2ccc(C(=O)O)cc21
InChIInChI=1S/C12H15NO3/c1-2-13-10-5-6-16-11-4-3-8(12(14)15)7-9(10)11/h3-4,7,10,13H,2,5-6H2,1H3,(H,14,15)
InChIKeyVIOJUQBDICUWAC-UHFFFAOYSA-N
XLogP1.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-3,4-dihydro-2H-chromen-6-ol
CID 105447097
N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43512357
N-[6-(2-chloroacetyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166058
N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43512405
(3R)-3-hydroxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 124707891
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
7-benzyl-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62273514
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide
CID 104926727
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 54935296
2-[[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 103904595
7-butyl-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 113322711

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid?
The IUPAC name of 4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid (CID 105477435) is 4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid.
What is the SMILES notation for 4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid?
The canonical SMILES for 4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid is CCNC1CCOc2ccc(C(=O)O)cc21.
What is the InChIKey of 4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid?
The InChIKey is VIOJUQBDICUWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-13-10-5-6-16-11-4-3-8(12(14)15)7-9(10)11/h3-4,7,10,13H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid?
4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid is sourced from PubChem (CID 105477435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).