4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride

C22H26ClNO — CID 21415020

IUPAC4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
SMILESCN1CCOC(CC23CCC(c4ccccc42)c2ccccc23)C1.Cl
InChIInChI=1S/C22H25NO.ClH/c1-23-12-13-24-16(15-23)14-22-11-10-17(18-6-2-4-8-20(18)22)19-7-3-5-9-21(19)22;/h2-9,16-17H,10-15H2,1H3;1H
InChIKeyHAWIGDXXCJILMT-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.35
Rot. Bonds2

About 4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride

4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride (PubChem CID 21415020) has the molecular formula C22H26ClNO and a molecular weight of 355.91 g/mol. Its IUPAC name is 4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
PubChem CID21415020
Molecular FormulaC22H26ClNO
Molecular Weight355.91 g/mol
Exact Mass355.17
IUPAC Name4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
SMILESCN1CCOC(CC23CCC(c4ccccc42)c2ccccc23)C1.Cl
InChIInChI=1S/C22H25NO.ClH/c1-23-12-13-24-16(15-23)14-22-11-10-17(18-6-2-4-8-20(18)22)19-7-3-5-9-21(19)22;/h2-9,16-17H,10-15H2,1H3;1H
InChIKeyHAWIGDXXCJILMT-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
The IUPAC name of 4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride (CID 21415020) is 4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride.
What is the SMILES notation for 4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
The canonical SMILES for 4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride is CN1CCOC(CC23CCC(c4ccccc42)c2ccccc23)C1.Cl.
What is the InChIKey of 4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
The InChIKey is HAWIGDXXCJILMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO.ClH/c1-23-12-13-24-16(15-23)14-22-11-10-17(18-6-2-4-8-20(18)22)19-7-3-5-9-21(19)22;/h2-9,16-17H,10-15H2,1H3;1H.
What are the key properties of 4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride is sourced from PubChem (CID 21415020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).