10-(2,3,3-trimethylbutyl)phenothiazine

C19H23NS — CID 134538471

IUPAC10-(2,3,3-trimethylbutyl)phenothiazine
SMILESCC(CN1c2ccccc2Sc2ccccc21)C(C)(C)C
InChIInChI=1S/C19H23NS/c1-14(19(2,3)4)13-20-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20/h5-12,14H,13H2,1-4H3
InChIKeyMXRHKKNVMSWIQZ-UHFFFAOYSA-N
MW297.47 g/mol
LogP5.97
Rot. Bonds2

About 10-(2,3,3-trimethylbutyl)phenothiazine

10-(2,3,3-trimethylbutyl)phenothiazine (PubChem CID 134538471) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 10-(2,3,3-trimethylbutyl)phenothiazine.

Molecular Properties

Compound Name10-(2,3,3-trimethylbutyl)phenothiazine
PubChem CID134538471
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name10-(2,3,3-trimethylbutyl)phenothiazine
SMILESCC(CN1c2ccccc2Sc2ccccc21)C(C)(C)C
InChIInChI=1S/C19H23NS/c1-14(19(2,3)4)13-20-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20/h5-12,14H,13H2,1-4H3
InChIKeyMXRHKKNVMSWIQZ-UHFFFAOYSA-N
XLogP5.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.47
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenothiazin-10-ylpropan-2-amine;hydroiodide
CID 173450767
azane;10-(2-chloropropyl)phenothiazine
CID 70621156
10-(2,2-dimethylpropyl)phenothiazine
CID 69273925
N-(1-phenothiazin-10-ylpropan-2-yl)methanimine oxide
CID 12715275
(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 15558621
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride
CID 68867493
N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;dihydrochloride
CID 23615719
diethyl-methyl-[(2R)-1-phenothiazin-10-ylpropan-2-yl]azanium
CID 40508051
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide
CID 138399821
10-[3-(azepin-1-yl)-2-methylpropyl]phenothiazine
CID 100978337
N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine
CID 46219426
10-[2-(4-methylpiperazin-1-yl)propyl]phenothiazine
CID 3024375

Frequently Asked Questions

What is the IUPAC name of 10-(2,3,3-trimethylbutyl)phenothiazine?
The IUPAC name of 10-(2,3,3-trimethylbutyl)phenothiazine (CID 134538471) is 10-(2,3,3-trimethylbutyl)phenothiazine.
What is the SMILES notation for 10-(2,3,3-trimethylbutyl)phenothiazine?
The canonical SMILES for 10-(2,3,3-trimethylbutyl)phenothiazine is CC(CN1c2ccccc2Sc2ccccc21)C(C)(C)C.
What is the InChIKey of 10-(2,3,3-trimethylbutyl)phenothiazine?
The InChIKey is MXRHKKNVMSWIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-14(19(2,3)4)13-20-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20/h5-12,14H,13H2,1-4H3.
What are the key properties of 10-(2,3,3-trimethylbutyl)phenothiazine?
10-(2,3,3-trimethylbutyl)phenothiazine has a molecular weight of 297.47 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,3,3-trimethylbutyl)phenothiazine is sourced from PubChem (CID 134538471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).