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

C19H24N2O2 — CID 134520665

IUPAC(2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccc2c(c1)C(C)Oc1cnccc1-2
InChIInChI=1S/C19H24N2O2/c1-12(2)8-14(20)11-22-15-4-5-16-17-6-7-21-10-19(17)23-13(3)18(16)9-15/h4-7,9-10,12-14H,8,11,20H2,1-3H3/t13?,14-/m0/s1
InChIKeyBGVFYMVGHBRQBP-KZUDCZAMSA-N
MW312.41 g/mol
LogP3.95
Rot. Bonds5

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

(2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine (PubChem CID 134520665) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
PubChem CID134520665
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccc2c(c1)C(C)Oc1cnccc1-2
InChIInChI=1S/C19H24N2O2/c1-12(2)8-14(20)11-22-15-4-5-16-17-6-7-21-10-19(17)23-13(3)18(16)9-15/h4-7,9-10,12-14H,8,11,20H2,1-3H3/t13?,14-/m0/s1
InChIKeyBGVFYMVGHBRQBP-KZUDCZAMSA-N
XLogP3.95
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine (CID 134520665) is (2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine is CC(C)C[C@H](N)COc1ccc2c(c1)C(C)Oc1cnccc1-2.
What is the InChIKey of (2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine?
The InChIKey is BGVFYMVGHBRQBP-KZUDCZAMSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-12(2)8-14(20)11-22-15-4-5-16-17-6-7-21-10-19(17)23-13(3)18(16)9-15/h4-7,9-10,12-14H,8,11,20H2,1-3H3/t13?,14-/m0/s1.
What are the key properties of (2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine?
(2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine has a molecular weight of 312.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-[(6-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine is sourced from PubChem (CID 134520665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).