(2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine

C20H26N2O2 — CID 134520644

IUPAC(2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
SMILESCc1nccc2c1OCc1cc(OC[C@@](C)(N)CC(C)C)ccc1-2
InChIInChI=1S/C20H26N2O2/c1-13(2)10-20(4,21)12-24-16-5-6-17-15(9-16)11-23-19-14(3)22-8-7-18(17)19/h5-9,13H,10-12,21H2,1-4H3/t20-/m0/s1
InChIKeyAGLGJBMYPBSETG-FQEVSTJZSA-N
MW326.44 g/mol
LogP4.09
Rot. Bonds5

About (2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine

(2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine (PubChem CID 134520644) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
PubChem CID134520644
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
SMILESCc1nccc2c1OCc1cc(OC[C@@](C)(N)CC(C)C)ccc1-2
InChIInChI=1S/C20H26N2O2/c1-13(2)10-20(4,21)12-24-16-5-6-17-15(9-16)11-23-19-14(3)22-8-7-18(17)19/h5-9,13H,10-12,21H2,1-4H3/t20-/m0/s1
InChIKeyAGLGJBMYPBSETG-FQEVSTJZSA-N
XLogP4.09
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine?
The IUPAC name of (2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine (CID 134520644) is (2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine.
What is the SMILES notation for (2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine?
The canonical SMILES for (2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine is Cc1nccc2c1OCc1cc(OC[C@@](C)(N)CC(C)C)ccc1-2.
What is the InChIKey of (2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine?
The InChIKey is AGLGJBMYPBSETG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(2)10-20(4,21)12-24-16-5-6-17-15(9-16)11-23-19-14(3)22-8-7-18(17)19/h5-9,13H,10-12,21H2,1-4H3/t20-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine?
(2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine has a molecular weight of 326.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-1-[(4-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine is sourced from PubChem (CID 134520644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).