(4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine

C13H15NO3 — CID 174339826

IUPAC(4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine
SMILESCOc1ccc([C@@H]2C=COC(N)=C2)cc1OC
InChIInChI=1S/C13H15NO3/c1-15-11-4-3-9(7-12(11)16-2)10-5-6-17-13(14)8-10/h3-8,10H,14H2,1-2H3/t10-/m1/s1
InChIKeyZFTZHDMNWBCZBA-SNVBAGLBSA-N
MW233.27 g/mol
LogP2.13
Rot. Bonds3

About (4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine

(4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine (PubChem CID 174339826) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine.

Molecular Properties

Compound Name(4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine
PubChem CID174339826
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine
SMILESCOc1ccc([C@@H]2C=COC(N)=C2)cc1OC
InChIInChI=1S/C13H15NO3/c1-15-11-4-3-9(7-12(11)16-2)10-5-6-17-13(14)8-10/h3-8,10H,14H2,1-2H3/t10-/m1/s1
InChIKeyZFTZHDMNWBCZBA-SNVBAGLBSA-N
XLogP2.13
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine?
The IUPAC name of (4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine (CID 174339826) is (4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine.
What is the SMILES notation for (4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine?
The canonical SMILES for (4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine is COc1ccc([C@@H]2C=COC(N)=C2)cc1OC.
What is the InChIKey of (4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine?
The InChIKey is ZFTZHDMNWBCZBA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15NO3/c1-15-11-4-3-9(7-12(11)16-2)10-5-6-17-13(14)8-10/h3-8,10H,14H2,1-2H3/t10-/m1/s1.
What are the key properties of (4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine?
(4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine has a molecular weight of 233.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,4-dimethoxyphenyl)-4H-pyran-2-amine is sourced from PubChem (CID 174339826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).