2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine

C20H24N2O — CID 52947282

IUPAC2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine
SMILESCOC1=CN2C(=CC(CCN)=C1)C1=CC=CCC13CCCC=C23
InChIInChI=1S/C20H24N2O/c1-23-16-12-15(8-11-21)13-18-17-6-2-4-9-20(17)10-5-3-7-19(20)22(18)14-16/h2,4,6-7,12-14H,3,5,8-11,21H2,1H3
InChIKeyACGNSLWUBIIPAC-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.90
Rot. Bonds3

About 2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine

2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine (PubChem CID 52947282) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine.

Molecular Properties

Compound Name2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine
PubChem CID52947282
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine
SMILESCOC1=CN2C(=CC(CCN)=C1)C1=CC=CCC13CCCC=C23
InChIInChI=1S/C20H24N2O/c1-23-16-12-15(8-11-21)13-18-17-6-2-4-9-20(17)10-5-3-7-19(20)22(18)14-16/h2,4,6-7,12-14H,3,5,8-11,21H2,1H3
InChIKeyACGNSLWUBIIPAC-UHFFFAOYSA-N
XLogP3.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine with MolForge

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Related Compounds

2-Amino-1-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)hexan-3-one
CID 52942408
8-Methoxy-3-methyl-11H-pyrido(4,3-a)carbazolium iodide
CID 149179
10-Methoxy-2,7-dimethyl-7H-pyrido(4,3-c)carbazolium iodide
CID 151704
8-Methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydropyrido[4,3-a]carbazole
CID 149180
10-Methoxy-2-methyl-1,6a,7,7a,11a,11b-hexahydropyrido[4,3-c]carbazole
CID 151703
8-Methoxy-3-methyl-4,6a,6b,10a,11,11a-hexahydro-3H-pyrido[4,3-a]carbazole--hydrogen iodide (1/1)
CID 138396852
2-[(4-Methoxycyclohepta-1,3,5-trien-1-yl)methyl]-1-methylidene-2,8-diazaspiro[4.5]decane
CID 143012993

Frequently Asked Questions

What is the IUPAC name of 2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine?
The IUPAC name of 2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine (CID 52947282) is 2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine.
What is the SMILES notation for 2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine?
The canonical SMILES for 2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine is COC1=CN2C(=CC(CCN)=C1)C1=CC=CCC13CCCC=C23.
What is the InChIKey of 2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine?
The InChIKey is ACGNSLWUBIIPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-23-16-12-15(8-11-21)13-18-17-6-2-4-9-20(17)10-5-3-7-19(20)22(18)14-16/h2,4,6-7,12-14H,3,5,8-11,21H2,1H3.
What are the key properties of 2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine?
2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine has a molecular weight of 308.43 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(17-methoxy-1-azatetracyclo[11.5.0.02,7.07,12]octadeca-2,9,11,13,15,17-hexaen-15-yl)ethanamine is sourced from PubChem (CID 52947282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).