2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride

C18H27ClN2O — CID 3044841

IUPAC2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride
SMILESCCn1c2c(c3ccccc31)CCOC2(C)CCN(C)C.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-5-20-16-9-7-6-8-14(16)15-10-13-21-18(2,17(15)20)11-12-19(3)4;/h6-9H,5,10-13H2,1-4H3;1H
InChIKeySTVIKLHTRWYHPP-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.82
Rot. Bonds4

About 2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride

2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride (PubChem CID 3044841) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride
PubChem CID3044841
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride
SMILESCCn1c2c(c3ccccc31)CCOC2(C)CCN(C)C.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-5-20-16-9-7-6-8-14(16)15-10-13-21-18(2,17(15)20)11-12-19(3)4;/h6-9H,5,10-13H2,1-4H3;1H
InChIKeySTVIKLHTRWYHPP-UHFFFAOYSA-N
XLogP3.82
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride (CID 3044841) is 2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride is CCn1c2c(c3ccccc31)CCOC2(C)CCN(C)C.Cl.
What is the InChIKey of 2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride?
The InChIKey is STVIKLHTRWYHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-5-20-16-9-7-6-8-14(16)15-10-13-21-18(2,17(15)20)11-12-19(3)4;/h6-9H,5,10-13H2,1-4H3;1H.
What are the key properties of 2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride?
2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 3044841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).