N-benzyl-10H-phenothiazin-2-amine

C19H16N2S — CID 22664281

IUPACN-benzyl-10H-phenothiazin-2-amine
SMILESc1ccc(CNc2ccc3c(c2)Nc2ccccc2S3)cc1
InChIInChI=1S/C19H16N2S/c1-2-6-14(7-3-1)13-20-15-10-11-19-17(12-15)21-16-8-4-5-9-18(16)22-19/h1-12,20-21H,13H2
InChIKeyGTGQDONGGNFVMO-UHFFFAOYSA-N
MW304.42 g/mol
LogP5.51
Rot. Bonds3

About N-benzyl-10H-phenothiazin-2-amine

N-benzyl-10H-phenothiazin-2-amine (PubChem CID 22664281) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-benzyl-10H-phenothiazin-2-amine.

Molecular Properties

Compound NameN-benzyl-10H-phenothiazin-2-amine
PubChem CID22664281
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC NameN-benzyl-10H-phenothiazin-2-amine
SMILESc1ccc(CNc2ccc3c(c2)Nc2ccccc2S3)cc1
InChIInChI=1S/C19H16N2S/c1-2-6-14(7-3-1)13-20-15-10-11-19-17(12-15)21-16-8-4-5-9-18(16)22-19/h1-12,20-21H,13H2
InChIKeyGTGQDONGGNFVMO-UHFFFAOYSA-N
XLogP5.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-10H-phenothiazin-2-amine 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 N-benzyl-10H-phenothiazin-2-amine?
The IUPAC name of N-benzyl-10H-phenothiazin-2-amine (CID 22664281) is N-benzyl-10H-phenothiazin-2-amine.
What is the SMILES notation for N-benzyl-10H-phenothiazin-2-amine?
The canonical SMILES for N-benzyl-10H-phenothiazin-2-amine is c1ccc(CNc2ccc3c(c2)Nc2ccccc2S3)cc1.
What is the InChIKey of N-benzyl-10H-phenothiazin-2-amine?
The InChIKey is GTGQDONGGNFVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-2-6-14(7-3-1)13-20-15-10-11-19-17(12-15)21-16-8-4-5-9-18(16)22-19/h1-12,20-21H,13H2.
What are the key properties of N-benzyl-10H-phenothiazin-2-amine?
N-benzyl-10H-phenothiazin-2-amine has a molecular weight of 304.42 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-10H-phenothiazin-2-amine is sourced from PubChem (CID 22664281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).