4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine

C19H17NS — CID 625981

IUPAC4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine
SMILESCC1=C2Sc3ccccc3N=C2CC(c2ccccc2)C1
InChIInChI=1S/C19H17NS/c1-13-11-15(14-7-3-2-4-8-14)12-17-19(13)21-18-10-6-5-9-16(18)20-17/h2-10,15H,11-12H2,1H3
InChIKeyANSPDQHDLOLLFD-UHFFFAOYSA-N
MW291.42 g/mol
LogP5.72
Rot. Bonds1

About 4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine

4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine (PubChem CID 625981) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine.

Molecular Properties

Compound Name4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine
PubChem CID625981
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Name4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine
SMILESCC1=C2Sc3ccccc3N=C2CC(c2ccccc2)C1
InChIInChI=1S/C19H17NS/c1-13-11-15(14-7-3-2-4-8-14)12-17-19(13)21-18-10-6-5-9-16(18)20-17/h2-10,15H,11-12H2,1H3
InChIKeyANSPDQHDLOLLFD-UHFFFAOYSA-N
XLogP5.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.42
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine?
The IUPAC name of 4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine (CID 625981) is 4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine.
What is the SMILES notation for 4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine?
The canonical SMILES for 4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine is CC1=C2Sc3ccccc3N=C2CC(c2ccccc2)C1.
What is the InChIKey of 4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine?
The InChIKey is ANSPDQHDLOLLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NS/c1-13-11-15(14-7-3-2-4-8-14)12-17-19(13)21-18-10-6-5-9-16(18)20-17/h2-10,15H,11-12H2,1H3.
What are the key properties of 4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine?
4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine has a molecular weight of 291.42 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-2,3-dihydro-1H-phenothiazine is sourced from PubChem (CID 625981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).