2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline

C22H21N3S — CID 3606847

IUPAC2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
SMILESCC(=NNc1ccc(C)cc1C)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C22H21N3S/c1-14-8-10-18(15(2)12-14)25-24-16(3)17-9-11-22-20(13-17)23-19-6-4-5-7-21(19)26-22/h4-13,23,25H,1-3H3
InChIKeySPTAUWCVXMZZLI-UHFFFAOYSA-N
MW359.50 g/mol
LogP6.35
Rot. Bonds3

About 2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline

2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline (PubChem CID 3606847) has the molecular formula C22H21N3S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
PubChem CID3606847
Molecular FormulaC22H21N3S
Molecular Weight359.50 g/mol
Exact Mass359.15
IUPAC Name2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
SMILESCC(=NNc1ccc(C)cc1C)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C22H21N3S/c1-14-8-10-18(15(2)12-14)25-24-16(3)17-9-11-22-20(13-17)23-19-6-4-5-7-21(19)26-22/h4-13,23,25H,1-3H3
InChIKeySPTAUWCVXMZZLI-UHFFFAOYSA-N
XLogP6.35
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.50
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline?
The IUPAC name of 2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline (CID 3606847) is 2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline?
The canonical SMILES for 2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline is CC(=NNc1ccc(C)cc1C)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline?
The InChIKey is SPTAUWCVXMZZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3S/c1-14-8-10-18(15(2)12-14)25-24-16(3)17-9-11-22-20(13-17)23-19-6-4-5-7-21(19)26-22/h4-13,23,25H,1-3H3.
What are the key properties of 2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline?
2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline has a molecular weight of 359.50 g/mol, XLogP of 6.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline is sourced from PubChem (CID 3606847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).