7-ethyl-3,4-dihydro-2H-chromen-4-amine

C11H15NO — CID 55294378

IUPAC7-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1ccc2c(c1)OCCC2N
InChIInChI=1S/C11H15NO/c1-2-8-3-4-9-10(12)5-6-13-11(9)7-8/h3-4,7,10H,2,5-6,12H2,1H3
InChIKeyOQIMJMGOWPSJSL-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.03
Rot. Bonds1

About 7-ethyl-3,4-dihydro-2H-chromen-4-amine

7-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 55294378) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 7-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID55294378
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name7-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1ccc2c(c1)OCCC2N
InChIInChI=1S/C11H15NO/c1-2-8-3-4-9-10(12)5-6-13-11(9)7-8/h3-4,7,10H,2,5-6,12H2,1H3
InChIKeyOQIMJMGOWPSJSL-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 55294378) is 7-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-ethyl-3,4-dihydro-2H-chromen-4-amine is CCc1ccc2c(c1)OCCC2N.
What is the InChIKey of 7-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OQIMJMGOWPSJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-8-3-4-9-10(12)5-6-13-11(9)7-8/h3-4,7,10H,2,5-6,12H2,1H3.
What are the key properties of 7-ethyl-3,4-dihydro-2H-chromen-4-amine?
7-ethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 177.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 55294378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).