(3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine

C14H19NO3 — CID 167482694

IUPAC(3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1c2ccccc2OC[C@@H]1OCC1CCOC1
InChIInChI=1S/C14H19NO3/c15-14-11-3-1-2-4-12(11)18-9-13(14)17-8-10-5-6-16-7-10/h1-4,10,13-14H,5-9,15H2/t10?,13-,14-/m0/s1
InChIKeyRPELMEFXEPNJHV-RYQGGHCKSA-N
MW249.31 g/mol
LogP1.50
Rot. Bonds3

About (3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine

(3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 167482694) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine
PubChem CID167482694
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1c2ccccc2OC[C@@H]1OCC1CCOC1
InChIInChI=1S/C14H19NO3/c15-14-11-3-1-2-4-12(11)18-9-13(14)17-8-10-5-6-16-7-10/h1-4,10,13-14H,5-9,15H2/t10?,13-,14-/m0/s1
InChIKeyRPELMEFXEPNJHV-RYQGGHCKSA-N
XLogP1.50
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxan-4-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine
CID 62382431
3-[2-(2-methoxyethoxy)ethoxy]-3,4-dihydro-2H-chromen-4-amine
CID 104560707
7-methoxy-2-(oxolan-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247755
N-[3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482729
3-[[(3S,4R)-4-amino-3,4-dihydro-2H-chromen-3-yl]oxy]-2,2-dimethylpropanenitrile
CID 172508662
4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)cyclohexan-1-amine
CID 79230039
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3-(4-propylphenoxy)-3,4-dihydro-2H-chromen-4-amine
CID 62550128
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)cyclopentan-1-amine
CID 79465588
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
3-(3,4-dihydro-2H-chromen-4-ylmethoxy)cyclobutan-1-amine
CID 104768849

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine (CID 167482694) is (3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine is N[C@H]1c2ccccc2OC[C@@H]1OCC1CCOC1.
What is the InChIKey of (3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RPELMEFXEPNJHV-RYQGGHCKSA-N. The full InChI is InChI=1S/C14H19NO3/c15-14-11-3-1-2-4-12(11)18-9-13(14)17-8-10-5-6-16-7-10/h1-4,10,13-14H,5-9,15H2/t10?,13-,14-/m0/s1.
What are the key properties of (3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine?
(3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 249.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(oxolan-3-ylmethoxy)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 167482694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).