benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine

C24H28N2O2 — CID 142820682

IUPACbenzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine
SMILESCC.NCCOc1cccc2c1c1cccc3c1n2CCO3.c1ccccc1
InChIInChI=1S/C16H16N2O2.C6H6.C2H6/c17-7-9-19-13-5-2-4-12-15(13)11-3-1-6-14-16(11)18(12)8-10-20-14;1-2-4-6-5-3-1;1-2/h1-6H,7-10,17H2;1-6H;1-2H3
InChIKeyHCEKGVYQCZLFPZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.24
Rot. Bonds3

About benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine

benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine (PubChem CID 142820682) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine.

Molecular Properties

Compound Namebenzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine
PubChem CID142820682
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Namebenzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine
SMILESCC.NCCOc1cccc2c1c1cccc3c1n2CCO3.c1ccccc1
InChIInChI=1S/C16H16N2O2.C6H6.C2H6/c17-7-9-19-13-5-2-4-12-15(13)11-3-1-6-14-16(11)18(12)8-10-20-14;1-2-4-6-5-3-1;1-2/h1-6H,7-10,17H2;1-6H;1-2H3
InChIKeyHCEKGVYQCZLFPZ-UHFFFAOYSA-N
XLogP5.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine?
The IUPAC name of benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine (CID 142820682) is benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine.
What is the SMILES notation for benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine?
The canonical SMILES for benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine is CC.NCCOc1cccc2c1c1cccc3c1n2CCO3.c1ccccc1.
What is the InChIKey of benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine?
The InChIKey is HCEKGVYQCZLFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2.C6H6.C2H6/c17-7-9-19-13-5-2-4-12-15(13)11-3-1-6-14-16(11)18(12)8-10-20-14;1-2-4-6-5-3-1;1-2/h1-6H,7-10,17H2;1-6H;1-2H3.
What are the key properties of benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine?
benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine has a molecular weight of 376.50 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine is sourced from PubChem (CID 142820682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).