14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine

C18H20N2O — CID 70636665

IUPAC14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine
SMILESNCC1CCN2c3ccccc3Oc3ccccc3C2C1
InChIInChI=1S/C18H20N2O/c19-12-13-9-10-20-15-6-2-4-8-18(15)21-17-7-3-1-5-14(17)16(20)11-13/h1-8,13,16H,9-12,19H2
InChIKeyXZADNFZBOMZDGO-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.71
Rot. Bonds1

About 14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine

14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine (PubChem CID 70636665) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine.

Molecular Properties

Compound Name14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine
PubChem CID70636665
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine
SMILESNCC1CCN2c3ccccc3Oc3ccccc3C2C1
InChIInChI=1S/C18H20N2O/c19-12-13-9-10-20-15-6-2-4-8-18(15)21-17-7-3-1-5-14(17)16(20)11-13/h1-8,13,16H,9-12,19H2
InChIKeyXZADNFZBOMZDGO-UHFFFAOYSA-N
XLogP3.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine?
The IUPAC name of 14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine (CID 70636665) is 14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine.
What is the SMILES notation for 14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine?
The canonical SMILES for 14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine is NCC1CCN2c3ccccc3Oc3ccccc3C2C1.
What is the InChIKey of 14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine?
The InChIKey is XZADNFZBOMZDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-12-13-9-10-20-15-6-2-4-8-18(15)21-17-7-3-1-5-14(17)16(20)11-13/h1-8,13,16H,9-12,19H2.
What are the key properties of 14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine?
14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine is sourced from PubChem (CID 70636665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).