2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine

C20H25N3OS — CID 171342286

IUPAC2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine
SMILESc1ccc2c(c1)Sc1ccccc1N2CCNCCN1CCOCC1
InChIInChI=1S/C20H25N3OS/c1-3-7-19-17(5-1)23(18-6-2-4-8-20(18)25-19)12-10-21-9-11-22-13-15-24-16-14-22/h1-8,21H,9-16H2
InChIKeyPFYVPMBVVWJTML-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.21
Rot. Bonds6

About 2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine

2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine (PubChem CID 171342286) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine
PubChem CID171342286
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine
SMILESc1ccc2c(c1)Sc1ccccc1N2CCNCCN1CCOCC1
InChIInChI=1S/C20H25N3OS/c1-3-7-19-17(5-1)23(18-6-2-4-8-20(18)25-19)12-10-21-9-11-22-13-15-24-16-14-22/h1-8,21H,9-16H2
InChIKeyPFYVPMBVVWJTML-UHFFFAOYSA-N
XLogP3.21
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine (CID 171342286) is 2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine is c1ccc2c(c1)Sc1ccccc1N2CCNCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine?
The InChIKey is PFYVPMBVVWJTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-3-7-19-17(5-1)23(18-6-2-4-8-20(18)25-19)12-10-21-9-11-22-13-15-24-16-14-22/h1-8,21H,9-16H2.
What are the key properties of 2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine?
2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine has a molecular weight of 355.51 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine is sourced from PubChem (CID 171342286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).