(2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine

C21H20N2O2 — CID 71728303

IUPAC(2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine
SMILESN[C@@H](COc1ccc2c(c1)OCc1cnccc1-2)Cc1ccccc1
InChIInChI=1S/C21H20N2O2/c22-17(10-15-4-2-1-3-5-15)14-24-18-6-7-20-19-8-9-23-12-16(19)13-25-21(20)11-18/h1-9,11-12,17H,10,13-14,22H2/t17-/m1/s1
InChIKeyBLJRGKGBUVZYAP-QGZVFWFLSA-N
MW332.40 g/mol
LogP3.59
Rot. Bonds5

About (2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine

(2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine (PubChem CID 71728303) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine
PubChem CID71728303
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine
SMILESN[C@@H](COc1ccc2c(c1)OCc1cnccc1-2)Cc1ccccc1
InChIInChI=1S/C21H20N2O2/c22-17(10-15-4-2-1-3-5-15)14-24-18-6-7-20-19-8-9-23-12-16(19)13-25-21(20)11-18/h1-9,11-12,17H,10,13-14,22H2/t17-/m1/s1
InChIKeyBLJRGKGBUVZYAP-QGZVFWFLSA-N
XLogP3.59
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine?
The IUPAC name of (2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine (CID 71728303) is (2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine.
What is the SMILES notation for (2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine?
The canonical SMILES for (2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine is N[C@@H](COc1ccc2c(c1)OCc1cnccc1-2)Cc1ccccc1.
What is the InChIKey of (2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine?
The InChIKey is BLJRGKGBUVZYAP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N2O2/c22-17(10-15-4-2-1-3-5-15)14-24-18-6-7-20-19-8-9-23-12-16(19)13-25-21(20)11-18/h1-9,11-12,17H,10,13-14,22H2/t17-/m1/s1.
What are the key properties of (2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine?
(2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine has a molecular weight of 332.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-3-phenylpropan-2-amine is sourced from PubChem (CID 71728303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).