1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine

C19H24N2O2 — CID 141445863

IUPAC1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)COc1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C19H24N2O2/c1-13(2)9-19(3,20)12-23-15-4-5-17-16-6-7-21-10-14(16)11-22-18(17)8-15/h4-8,10,13H,9,11-12,20H2,1-3H3
InChIKeyQZVJDOPQIOETCO-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.78
Rot. Bonds5

About 1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine

1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine (PubChem CID 141445863) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine
PubChem CID141445863
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)COc1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C19H24N2O2/c1-13(2)9-19(3,20)12-23-15-4-5-17-16-6-7-21-10-14(16)11-22-18(17)8-15/h4-8,10,13H,9,11-12,20H2,1-3H3
InChIKeyQZVJDOPQIOETCO-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-2-yl]-ethylcarbamic acid
CID 138617287
N-[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134324046
N-[8-[(2S)-2-amino-2,4-dimethylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134520625
N-[8-[(2R)-2-amino-2,4-dimethylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134520651
[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-2-yl]carbamic acid
CID 134324061
8-[(2S)-2-amino-2,4-dimethylpentoxy]-2-[(sulfinoamino)methyl]-6H-isochromeno[3,4-c]pyridine
CID 138617309
[8-(2-amino-1-deuterio-2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]-ethylcarbamic acid
CID 130384826
[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-4-yl]carbamic acid
CID 134323996
2-[(2S)-1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-4-methylpentan-2-yl]isoindole-1,3-dione
CID 86695893
[8-[(2S)-2-amino-2,4-dimethylpentoxy]-1-chloro-6H-isochromeno[3,4-c]pyridin-2-yl]-ethylcarbamic acid
CID 138617291
8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine
CID 130389266

Frequently Asked Questions

What is the IUPAC name of 1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine?
The IUPAC name of 1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine (CID 141445863) is 1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine is CC(C)CC(C)(N)COc1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of 1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine?
The InChIKey is QZVJDOPQIOETCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)9-19(3,20)12-23-15-4-5-17-16-6-7-21-10-14(16)11-22-18(17)8-15/h4-8,10,13H,9,11-12,20H2,1-3H3.
What are the key properties of 1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine?
1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine has a molecular weight of 312.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5H-chromeno[3,4-c]pyridin-8-yloxy)-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 141445863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).