3-phenothiazin-10-ylpropan-1-amine

C15H16N2S — CID 11079240

IUPAC3-phenothiazin-10-ylpropan-1-amine
SMILESNCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H16N2S/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11,16H2
InChIKeyOJPDZEFBOMRMTK-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.64
Rot. Bonds3

About 3-phenothiazin-10-ylpropan-1-amine

3-phenothiazin-10-ylpropan-1-amine (PubChem CID 11079240) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-phenothiazin-10-ylpropan-1-amine.

Molecular Properties

Compound Name3-phenothiazin-10-ylpropan-1-amine
PubChem CID11079240
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name3-phenothiazin-10-ylpropan-1-amine
SMILESNCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H16N2S/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11,16H2
InChIKeyOJPDZEFBOMRMTK-UHFFFAOYSA-N
XLogP3.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

10-(4-bromobutyl)phenothiazine
CID 14549797
10-butylphenothiazine;propane
CID 177020956
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
10-butylphenothiazine;hydrate;tetrahydroiodide
CID 173485866
N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride
CID 155804735
3-(3-chlorophenothiazin-10-yl)propan-1-ol
CID 163458253
N-ethyl-3-phenothiazin-10-ylpropan-1-amine
CID 61387618
10-(2-phenylethyl)phenothiazine
CID 4594348
10-(3-aminopropyl)-9H-acridin-9-amine
CID 56978952
10-(3-piperidin-1-ium-1-ylpropyl)phenothiazine
CID 4066032
(E)-but-2-enedioic acid;4-[2-(trifluoromethyl)phenothiazin-10-yl]butan-1-amine
CID 10343938
sodium 6-phenothiazin-10-ylhexane-1-sulfonate
CID 57336662

Frequently Asked Questions

What is the IUPAC name of 3-phenothiazin-10-ylpropan-1-amine?
The IUPAC name of 3-phenothiazin-10-ylpropan-1-amine (CID 11079240) is 3-phenothiazin-10-ylpropan-1-amine.
What is the SMILES notation for 3-phenothiazin-10-ylpropan-1-amine?
The canonical SMILES for 3-phenothiazin-10-ylpropan-1-amine is NCCCN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 3-phenothiazin-10-ylpropan-1-amine?
The InChIKey is OJPDZEFBOMRMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11,16H2.
What are the key properties of 3-phenothiazin-10-ylpropan-1-amine?
3-phenothiazin-10-ylpropan-1-amine has a molecular weight of 256.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenothiazin-10-ylpropan-1-amine is sourced from PubChem (CID 11079240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).