2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine

C24H26N2OS — CID 57043660

IUPAC2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine
SMILESCOc1ccc(CCN(C)CCN2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C24H26N2OS/c1-25(16-15-19-11-13-20(27-2)14-12-19)17-18-26-21-7-3-5-9-23(21)28-24-10-6-4-8-22(24)26/h3-14H,15-18H2,1-2H3
InChIKeyQZJIWCULTRXPCH-UHFFFAOYSA-N
MW390.55 g/mol
LogP5.47
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine

2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine (PubChem CID 57043660) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine
PubChem CID57043660
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine
SMILESCOc1ccc(CCN(C)CCN2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C24H26N2OS/c1-25(16-15-19-11-13-20(27-2)14-12-19)17-18-26-21-7-3-5-9-23(21)28-24-10-6-4-8-22(24)26/h3-14H,15-18H2,1-2H3
InChIKeyQZJIWCULTRXPCH-UHFFFAOYSA-N
XLogP5.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)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 2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine (CID 57043660) is 2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine is COc1ccc(CCN(C)CCN2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine?
The InChIKey is QZJIWCULTRXPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-25(16-15-19-11-13-20(27-2)14-12-19)17-18-26-21-7-3-5-9-23(21)28-24-10-6-4-8-22(24)26/h3-14H,15-18H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine?
2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine has a molecular weight of 390.55 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methyl-N-(2-phenothiazin-10-ylethyl)ethanamine is sourced from PubChem (CID 57043660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).