(2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine

C18H22N2O2 — CID 134520635

IUPAC(2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccc2c(c1)COc1cnccc1-2
InChIInChI=1S/C18H22N2O2/c1-12(2)7-14(19)11-21-15-3-4-16-13(8-15)10-22-18-9-20-6-5-17(16)18/h3-6,8-9,12,14H,7,10-11,19H2,1-2H3/t14-/m0/s1
InChIKeyKJTUDZFLVMTRGY-AWEZNQCLSA-N
MW298.39 g/mol
LogP3.39
Rot. Bonds5

About (2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine

(2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine (PubChem CID 134520635) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine
PubChem CID134520635
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccc2c(c1)COc1cnccc1-2
InChIInChI=1S/C18H22N2O2/c1-12(2)7-14(19)11-21-15-3-4-16-13(8-15)10-22-18-9-20-6-5-17(16)18/h3-6,8-9,12,14H,7,10-11,19H2,1-2H3/t14-/m0/s1
InChIKeyKJTUDZFLVMTRGY-AWEZNQCLSA-N
XLogP3.39
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine?
The IUPAC name of (2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine (CID 134520635) is (2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine?
The canonical SMILES for (2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine is CC(C)C[C@H](N)COc1ccc2c(c1)COc1cnccc1-2.
What is the InChIKey of (2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine?
The InChIKey is KJTUDZFLVMTRGY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)7-14(19)11-21-15-3-4-16-13(8-15)10-22-18-9-20-6-5-17(16)18/h3-6,8-9,12,14H,7,10-11,19H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine?
(2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine has a molecular weight of 298.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6H-isochromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-amine is sourced from PubChem (CID 134520635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).