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

C19H23FN2O2 — CID 134520668

IUPAC(2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ccc2c(c1)COc1cnc(F)cc1-2
InChIInChI=1S/C19H23FN2O2/c1-12(2)8-19(3,21)11-24-14-4-5-15-13(6-14)10-23-17-9-22-18(20)7-16(15)17/h4-7,9,12H,8,10-11,21H2,1-3H3/t19-/m0/s1
InChIKeyBRDHSHIBTPATCV-IBGZPJMESA-N
MW330.40 g/mol
LogP3.92
Rot. Bonds5

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

(2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine (PubChem CID 134520668) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
PubChem CID134520668
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ccc2c(c1)COc1cnc(F)cc1-2
InChIInChI=1S/C19H23FN2O2/c1-12(2)8-19(3,21)11-24-14-4-5-15-13(6-14)10-23-17-9-22-18(20)7-16(15)17/h4-7,9,12H,8,10-11,21H2,1-3H3/t19-/m0/s1
InChIKeyBRDHSHIBTPATCV-IBGZPJMESA-N
XLogP3.92
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine (CID 134520668) is (2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine is CC(C)C[C@](C)(N)COc1ccc2c(c1)COc1cnc(F)cc1-2.
What is the InChIKey of (2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is BRDHSHIBTPATCV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-12(2)8-19(3,21)11-24-14-4-5-15-13(6-14)10-23-17-9-22-18(20)7-16(15)17/h4-7,9,12H,8,10-11,21H2,1-3H3/t19-/m0/s1.
What are the key properties of (2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 330.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 134520668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).