10-(2,2-dimethylpropyl)phenothiazine

C17H19NS — CID 69273925

IUPAC10-(2,2-dimethylpropyl)phenothiazine
SMILESCC(C)(C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H19NS/c1-17(2,3)12-18-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)18/h4-11H,12H2,1-3H3
InChIKeyBJMGKUKBMBKTJD-UHFFFAOYSA-N
MW269.41 g/mol
LogP5.34
Rot. Bonds1

About 10-(2,2-dimethylpropyl)phenothiazine

10-(2,2-dimethylpropyl)phenothiazine (PubChem CID 69273925) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 10-(2,2-dimethylpropyl)phenothiazine.

Molecular Properties

Compound Name10-(2,2-dimethylpropyl)phenothiazine
PubChem CID69273925
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name10-(2,2-dimethylpropyl)phenothiazine
SMILESCC(C)(C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H19NS/c1-17(2,3)12-18-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)18/h4-11H,12H2,1-3H3
InChIKeyBJMGKUKBMBKTJD-UHFFFAOYSA-N
XLogP5.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.41
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-(2,3,3-trimethylbutyl)phenothiazine
CID 134538471
10-butylphenothiazine;propane
CID 177020956
1-phenothiazin-10-ylpropan-2-amine;hydroiodide
CID 173450767
10-butylphenothiazine;hydrate;tetrahydroiodide
CID 173485866
azane;10-(2-chloropropyl)phenothiazine
CID 70621156
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide
CID 138399821
CID 11345973
CID 11345973
N,N-dimethyl-2-phenothiazin-10-ylethanamine;iodomethane
CID 23622918
diethyl(2-phenothiazin-10-ylethyl)azanium
CID 6918965
3-phenothiazin-10-ylpropan-1-amine
CID 11079240
10-(2-phenylethyl)phenothiazine
CID 4594348
N,N,2,2-tetramethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine
CID 110178852

Frequently Asked Questions

What is the IUPAC name of 10-(2,2-dimethylpropyl)phenothiazine?
The IUPAC name of 10-(2,2-dimethylpropyl)phenothiazine (CID 69273925) is 10-(2,2-dimethylpropyl)phenothiazine.
What is the SMILES notation for 10-(2,2-dimethylpropyl)phenothiazine?
The canonical SMILES for 10-(2,2-dimethylpropyl)phenothiazine is CC(C)(C)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 10-(2,2-dimethylpropyl)phenothiazine?
The InChIKey is BJMGKUKBMBKTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-17(2,3)12-18-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)18/h4-11H,12H2,1-3H3.
What are the key properties of 10-(2,2-dimethylpropyl)phenothiazine?
10-(2,2-dimethylpropyl)phenothiazine has a molecular weight of 269.41 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,2-dimethylpropyl)phenothiazine is sourced from PubChem (CID 69273925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).