6-ethoxy-3,4-dihydro-2H-chromen-4-amine

C11H15NO2 — CID 16643031

IUPAC6-ethoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCOc1ccc2c(c1)C(N)CCO2
InChIInChI=1S/C11H15NO2/c1-2-13-8-3-4-11-9(7-8)10(12)5-6-14-11/h3-4,7,10H,2,5-6,12H2,1H3
InChIKeyCPMDPSPSNQSOQS-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.87
Rot. Bonds2

About 6-ethoxy-3,4-dihydro-2H-chromen-4-amine

6-ethoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 16643031) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-ethoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-ethoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID16643031
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name6-ethoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCOc1ccc2c(c1)C(N)CCO2
InChIInChI=1S/C11H15NO2/c1-2-13-8-3-4-11-9(7-8)10(12)5-6-14-11/h3-4,7,10H,2,5-6,12H2,1H3
InChIKeyCPMDPSPSNQSOQS-UHFFFAOYSA-N
XLogP1.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-ethoxy-3,4-dihydro-2H-chromen-4-amine (CID 16643031) is 6-ethoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-ethoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-ethoxy-3,4-dihydro-2H-chromen-4-amine is CCOc1ccc2c(c1)C(N)CCO2.
What is the InChIKey of 6-ethoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CPMDPSPSNQSOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-13-8-3-4-11-9(7-8)10(12)5-6-14-11/h3-4,7,10H,2,5-6,12H2,1H3.
What are the key properties of 6-ethoxy-3,4-dihydro-2H-chromen-4-amine?
6-ethoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 193.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 16643031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).