1-phenothiazin-10-ylpropan-2-amine;hydroiodide

C15H17IN2S — CID 173450767

IUPAC1-phenothiazin-10-ylpropan-2-amine;hydroiodide
SMILESCC(N)CN1c2ccccc2Sc2ccccc21.I
InChIInChI=1S/C15H16N2S.HI/c1-11(16)10-17-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)17;/h2-9,11H,10,16H2,1H3;1H
InChIKeyANFDEWRKWFHVAD-UHFFFAOYSA-N
MW384.29 g/mol
LogP4.25
Rot. Bonds2

About 1-phenothiazin-10-ylpropan-2-amine;hydroiodide

1-phenothiazin-10-ylpropan-2-amine;hydroiodide (PubChem CID 173450767) has the molecular formula C15H17IN2S and a molecular weight of 384.29 g/mol. Its IUPAC name is 1-phenothiazin-10-ylpropan-2-amine;hydroiodide.

Molecular Properties

Compound Name1-phenothiazin-10-ylpropan-2-amine;hydroiodide
PubChem CID173450767
Molecular FormulaC15H17IN2S
Molecular Weight384.29 g/mol
Exact Mass384.02
IUPAC Name1-phenothiazin-10-ylpropan-2-amine;hydroiodide
SMILESCC(N)CN1c2ccccc2Sc2ccccc21.I
InChIInChI=1S/C15H16N2S.HI/c1-11(16)10-17-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)17;/h2-9,11H,10,16H2,1H3;1H
InChIKeyANFDEWRKWFHVAD-UHFFFAOYSA-N
XLogP4.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;10-(2-chloropropyl)phenothiazine
CID 70621156
10-(2,3,3-trimethylbutyl)phenothiazine
CID 134538471
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;mercury(2+);diiodide;dihydroiodide
CID 138399821
(2R)-N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 15558621
N-(1-phenothiazin-10-ylpropan-2-yl)methanimine oxide
CID 12715275
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
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
1-N,1-N,2-N,2-N-tetramethyl-3-phenothiazin-10-ylpropane-1,2-diamine
CID 19392

Frequently Asked Questions

What is the IUPAC name of 1-phenothiazin-10-ylpropan-2-amine;hydroiodide?
The IUPAC name of 1-phenothiazin-10-ylpropan-2-amine;hydroiodide (CID 173450767) is 1-phenothiazin-10-ylpropan-2-amine;hydroiodide.
What is the SMILES notation for 1-phenothiazin-10-ylpropan-2-amine;hydroiodide?
The canonical SMILES for 1-phenothiazin-10-ylpropan-2-amine;hydroiodide is CC(N)CN1c2ccccc2Sc2ccccc21.I.
What is the InChIKey of 1-phenothiazin-10-ylpropan-2-amine;hydroiodide?
The InChIKey is ANFDEWRKWFHVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S.HI/c1-11(16)10-17-12-6-2-4-8-14(12)18-15-9-5-3-7-13(15)17;/h2-9,11H,10,16H2,1H3;1H.
What are the key properties of 1-phenothiazin-10-ylpropan-2-amine;hydroiodide?
1-phenothiazin-10-ylpropan-2-amine;hydroiodide has a molecular weight of 384.29 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenothiazin-10-ylpropan-2-amine;hydroiodide is sourced from PubChem (CID 173450767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).