1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride

C17H25ClN2O2 — CID 3044861

IUPAC1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride
SMILESCN(C)CCC1(C)OCCc2c1n(C)c1ccc(O)cc21.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-17(8-9-18(2)3)16-13(7-10-21-17)14-11-12(20)5-6-15(14)19(16)4;/h5-6,11,20H,7-10H2,1-4H3;1H
InChIKeyRPRIEEWRSDFOIY-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.05
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride

1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride (PubChem CID 3044861) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride
PubChem CID3044861
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride
SMILESCN(C)CCC1(C)OCCc2c1n(C)c1ccc(O)cc21.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-17(8-9-18(2)3)16-13(7-10-21-17)14-11-12(20)5-6-15(14)19(16)4;/h5-6,11,20H,7-10H2,1-4H3;1H
InChIKeyRPRIEEWRSDFOIY-UHFFFAOYSA-N
XLogP3.05
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride (CID 3044861) is 1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride is CN(C)CCC1(C)OCCc2c1n(C)c1ccc(O)cc21.Cl.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride?
The InChIKey is RPRIEEWRSDFOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-17(8-9-18(2)3)16-13(7-10-21-17)14-11-12(20)5-6-15(14)19(16)4;/h5-6,11,20H,7-10H2,1-4H3;1H.
What are the key properties of 1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride?
1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-6-ol;hydrochloride is sourced from PubChem (CID 3044861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).