4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride

C22H26ClNO — CID 21415013

IUPAC4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
SMILESCCN1CCOC(CC23CC(c4ccccc42)c2ccccc23)C1.Cl
InChIInChI=1S/C22H25NO.ClH/c1-2-23-11-12-24-16(15-23)13-22-14-19(17-7-3-5-9-20(17)22)18-8-4-6-10-21(18)22;/h3-10,16,19H,2,11-15H2,1H3;1H
InChIKeyZEFJBBBXAXBKIO-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.35
Rot. Bonds3

About 4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride

4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride (PubChem CID 21415013) has the molecular formula C22H26ClNO and a molecular weight of 355.91 g/mol. Its IUPAC name is 4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
PubChem CID21415013
Molecular FormulaC22H26ClNO
Molecular Weight355.91 g/mol
Exact Mass355.17
IUPAC Name4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
SMILESCCN1CCOC(CC23CC(c4ccccc42)c2ccccc23)C1.Cl
InChIInChI=1S/C22H25NO.ClH/c1-2-23-11-12-24-16(15-23)13-22-14-19(17-7-3-5-9-20(17)22)18-8-4-6-10-21(18)22;/h3-10,16,19H,2,11-15H2,1H3;1H
InChIKeyZEFJBBBXAXBKIO-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride 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 4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
The IUPAC name of 4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride (CID 21415013) is 4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride.
What is the SMILES notation for 4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
The canonical SMILES for 4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride is CCN1CCOC(CC23CC(c4ccccc42)c2ccccc23)C1.Cl.
What is the InChIKey of 4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
The InChIKey is ZEFJBBBXAXBKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO.ClH/c1-2-23-11-12-24-16(15-23)13-22-14-19(17-7-3-5-9-20(17)22)18-8-4-6-10-21(18)22;/h3-10,16,19H,2,11-15H2,1H3;1H.
What are the key properties of 4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride is sourced from PubChem (CID 21415013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).