N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride

C20H23ClN2O — CID 3044571

IUPACN,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride
SMILESCc1c(CCN(C)C)n2c3c(cccc13)COc1ccccc1-2.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-14-16-8-6-7-15-13-23-19-10-5-4-9-18(19)22(20(15)16)17(14)11-12-21(2)3;/h4-10H,11-13H2,1-3H3;1H
InChIKeyUZZMDZBIGMBWOA-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.36
Rot. Bonds3

About N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride

N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride (PubChem CID 3044571) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride
PubChem CID3044571
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride
SMILESCc1c(CCN(C)C)n2c3c(cccc13)COc1ccccc1-2.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-14-16-8-6-7-15-13-23-19-10-5-4-9-18(19)22(20(15)16)17(14)11-12-21(2)3;/h4-10H,11-13H2,1-3H3;1H
InChIKeyUZZMDZBIGMBWOA-UHFFFAOYSA-N
XLogP4.36
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride (CID 3044571) is N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride is Cc1c(CCN(C)C)n2c3c(cccc13)COc1ccccc1-2.Cl.
What is the InChIKey of N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride?
The InChIKey is UZZMDZBIGMBWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClH/c1-14-16-8-6-7-15-13-23-19-10-5-4-9-18(19)22(20(15)16)17(14)11-12-21(2)3;/h4-10H,11-13H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride?
N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride is sourced from PubChem (CID 3044571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).