(3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol

C11H15NO2 — CID 3048930

IUPAC(3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol
SMILESCCN[C@H]1COc2ccccc2[C@@H]1O
InChIInChI=1S/C11H15NO2/c1-2-12-9-7-14-10-6-4-3-5-8(10)11(9)13/h3-6,9,11-13H,2,7H2,1H3/t9-,11-/m0/s1
InChIKeyHSNLJVKBGMJTPR-ONGXEEELSA-N
MW193.25 g/mol
LogP1.09
Rot. Bonds2

About (3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol

(3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 3048930) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol
PubChem CID3048930
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol
SMILESCCN[C@H]1COc2ccccc2[C@@H]1O
InChIInChI=1S/C11H15NO2/c1-2-12-9-7-14-10-6-4-3-5-8(10)11(9)13/h3-6,9,11-13H,2,7H2,1H3/t9-,11-/m0/s1
InChIKeyHSNLJVKBGMJTPR-ONGXEEELSA-N
XLogP1.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol (CID 3048930) is (3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol is CCN[C@H]1COc2ccccc2[C@@H]1O.
What is the InChIKey of (3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HSNLJVKBGMJTPR-ONGXEEELSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-12-9-7-14-10-6-4-3-5-8(10)11(9)13/h3-6,9,11-13H,2,7H2,1H3/t9-,11-/m0/s1.
What are the key properties of (3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol?
(3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 193.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(ethylamino)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 3048930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).