(3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine

C13H20N2O2 — CID 69173545

IUPAC(3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine
SMILESCN(C)CCOc1cccc2c1C[C@H](N)CO2
InChIInChI=1S/C13H20N2O2/c1-15(2)6-7-16-12-4-3-5-13-11(12)8-10(14)9-17-13/h3-5,10H,6-9,14H2,1-2H3/t10-/m0/s1
InChIKeyYOIBMWKPTOEXRJ-JTQLQIEISA-N
MW236.31 g/mol
LogP0.89
Rot. Bonds4

About (3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine

(3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 69173545) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine
PubChem CID69173545
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine
SMILESCN(C)CCOc1cccc2c1C[C@H](N)CO2
InChIInChI=1S/C13H20N2O2/c1-15(2)6-7-16-12-4-3-5-13-11(12)8-10(14)9-17-13/h3-5,10H,6-9,14H2,1-2H3/t10-/m0/s1
InChIKeyYOIBMWKPTOEXRJ-JTQLQIEISA-N
XLogP0.89
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine (CID 69173545) is (3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine is CN(C)CCOc1cccc2c1C[C@H](N)CO2.
What is the InChIKey of (3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is YOIBMWKPTOEXRJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(2)6-7-16-12-4-3-5-13-11(12)8-10(14)9-17-13/h3-5,10H,6-9,14H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine?
(3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 236.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 69173545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).