N,N-dimethyl-4-phenothiazin-10-ylaniline

C20H18N2S — CID 149200025

IUPACN,N-dimethyl-4-phenothiazin-10-ylaniline
SMILESCN(C)c1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C20H18N2S/c1-21(2)15-11-13-16(14-12-15)22-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)22/h3-14H,1-2H3
InChIKeyXEMWGTAIRMURBK-UHFFFAOYSA-N
MW318.45 g/mol
LogP5.69
Rot. Bonds2

About N,N-dimethyl-4-phenothiazin-10-ylaniline

N,N-dimethyl-4-phenothiazin-10-ylaniline (PubChem CID 149200025) has the molecular formula C20H18N2S and a molecular weight of 318.45 g/mol. Its IUPAC name is N,N-dimethyl-4-phenothiazin-10-ylaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-phenothiazin-10-ylaniline
PubChem CID149200025
Molecular FormulaC20H18N2S
Molecular Weight318.45 g/mol
Exact Mass318.12
IUPAC NameN,N-dimethyl-4-phenothiazin-10-ylaniline
SMILESCN(C)c1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C20H18N2S/c1-21(2)15-11-13-16(14-12-15)22-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)22/h3-14H,1-2H3
InChIKeyXEMWGTAIRMURBK-UHFFFAOYSA-N
XLogP5.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.45
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phenothiazin-10-ylaniline?
The IUPAC name of N,N-dimethyl-4-phenothiazin-10-ylaniline (CID 149200025) is N,N-dimethyl-4-phenothiazin-10-ylaniline.
What is the SMILES notation for N,N-dimethyl-4-phenothiazin-10-ylaniline?
The canonical SMILES for N,N-dimethyl-4-phenothiazin-10-ylaniline is CN(C)c1ccc(N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N,N-dimethyl-4-phenothiazin-10-ylaniline?
The InChIKey is XEMWGTAIRMURBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2S/c1-21(2)15-11-13-16(14-12-15)22-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)22/h3-14H,1-2H3.
What are the key properties of N,N-dimethyl-4-phenothiazin-10-ylaniline?
N,N-dimethyl-4-phenothiazin-10-ylaniline has a molecular weight of 318.45 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-phenothiazin-10-ylaniline is sourced from PubChem (CID 149200025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).