5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine

C19H23ClN2O2 — CID 134324080

IUPAC5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
SMILESCC(COc1ccc2c(c1)COc1c-2ccnc1Cl)CC(C)(C)N
InChIInChI=1S/C19H23ClN2O2/c1-12(9-19(2,3)21)10-23-14-4-5-15-13(8-14)11-24-17-16(15)6-7-22-18(17)20/h4-8,12H,9-11,21H2,1-3H3
InChIKeyBECRIPAHHUCRHR-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.44
Rot. Bonds5

About 5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine

5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine (PubChem CID 134324080) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
PubChem CID134324080
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
SMILESCC(COc1ccc2c(c1)COc1c-2ccnc1Cl)CC(C)(C)N
InChIInChI=1S/C19H23ClN2O2/c1-12(9-19(2,3)21)10-23-14-4-5-15-13(8-14)11-24-17-16(15)6-7-22-18(17)20/h4-8,12H,9-11,21H2,1-3H3
InChIKeyBECRIPAHHUCRHR-UHFFFAOYSA-N
XLogP4.44
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
CID 134520693
5-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
CID 134324038
(4S)-5-[(2-fluoro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine
CID 134324039
8-[2-methyl-4-(methylideneamino)pentoxy]-6H-isochromeno[3,4-c]pyridin-4-amine
CID 138650831
methyl N-[8-(4-amino-2-methylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamate
CID 145168244
[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamic acid
CID 134323996
1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine
CID 141445863
[8-[(2S)-2-amino-2,4-dimethylpentoxy]-1-chloro-6H-isochromeno[3,4-c]pyridin-2-yl]-ethylcarbamic acid
CID 138617291
[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-2-yl]-ethylcarbamic acid
CID 138617287
1-(5H-chromeno[4,3-b]pyridin-8-yloxy)-4-methylpentan-2-amine
CID 90233481
N-[8-[(2S)-2-amino-2,4-dimethylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134520625
N-[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134324046

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine (CID 134324080) is 5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine is CC(COc1ccc2c(c1)COc1c-2ccnc1Cl)CC(C)(C)N.
What is the InChIKey of 5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is BECRIPAHHUCRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-12(9-19(2,3)21)10-23-14-4-5-15-13(8-14)11-24-17-16(15)6-7-22-18(17)20/h4-8,12H,9-11,21H2,1-3H3.
What are the key properties of 5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine?
5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 346.86 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 134324080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).