4-(10H-phenothiazin-2-yloxymethyl)aniline

C19H16N2OS — CID 22646361

IUPAC4-(10H-phenothiazin-2-yloxymethyl)aniline
SMILESNc1ccc(COc2ccc3c(c2)Nc2ccccc2S3)cc1
InChIInChI=1S/C19H16N2OS/c20-14-7-5-13(6-8-14)12-22-15-9-10-19-17(11-15)21-16-3-1-2-4-18(16)23-19/h1-11,21H,12,20H2
InChIKeySNGDJNDMIZFFRB-UHFFFAOYSA-N
MW320.42 g/mol
LogP5.06
Rot. Bonds3

About 4-(10H-phenothiazin-2-yloxymethyl)aniline

4-(10H-phenothiazin-2-yloxymethyl)aniline (PubChem CID 22646361) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-(10H-phenothiazin-2-yloxymethyl)aniline.

Molecular Properties

Compound Name4-(10H-phenothiazin-2-yloxymethyl)aniline
PubChem CID22646361
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name4-(10H-phenothiazin-2-yloxymethyl)aniline
SMILESNc1ccc(COc2ccc3c(c2)Nc2ccccc2S3)cc1
InChIInChI=1S/C19H16N2OS/c20-14-7-5-13(6-8-14)12-22-15-9-10-19-17(11-15)21-16-3-1-2-4-18(16)23-19/h1-11,21H,12,20H2
InChIKeySNGDJNDMIZFFRB-UHFFFAOYSA-N
XLogP5.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(10H-phenothiazin-2-yloxymethyl)aniline?
The IUPAC name of 4-(10H-phenothiazin-2-yloxymethyl)aniline (CID 22646361) is 4-(10H-phenothiazin-2-yloxymethyl)aniline.
What is the SMILES notation for 4-(10H-phenothiazin-2-yloxymethyl)aniline?
The canonical SMILES for 4-(10H-phenothiazin-2-yloxymethyl)aniline is Nc1ccc(COc2ccc3c(c2)Nc2ccccc2S3)cc1.
What is the InChIKey of 4-(10H-phenothiazin-2-yloxymethyl)aniline?
The InChIKey is SNGDJNDMIZFFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c20-14-7-5-13(6-8-14)12-22-15-9-10-19-17(11-15)21-16-3-1-2-4-18(16)23-19/h1-11,21H,12,20H2.
What are the key properties of 4-(10H-phenothiazin-2-yloxymethyl)aniline?
4-(10H-phenothiazin-2-yloxymethyl)aniline has a molecular weight of 320.42 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10H-phenothiazin-2-yloxymethyl)aniline is sourced from PubChem (CID 22646361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).