N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride

C17H24Cl2N2OS — CID 68867493

IUPACN,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride
SMILESCC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl.Cl.O
InChIInChI=1S/C17H20N2S.2ClH.H2O/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;;;/h4-11,13H,12H2,1-3H3;2*1H;1H2
InChIKeyFZGVIBCASZRJHC-UHFFFAOYSA-N
MW375.37 g/mol
LogP4.26
Rot. Bonds3

About N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride

N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride (PubChem CID 68867493) has the molecular formula C17H24Cl2N2OS and a molecular weight of 375.37 g/mol. Its IUPAC name is N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride
PubChem CID68867493
Molecular FormulaC17H24Cl2N2OS
Molecular Weight375.37 g/mol
Exact Mass374.10
IUPAC NameN,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride
SMILESCC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl.Cl.O
InChIInChI=1S/C17H20N2S.2ClH.H2O/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;;;/h4-11,13H,12H2,1-3H3;2*1H;1H2
InChIKeyFZGVIBCASZRJHC-UHFFFAOYSA-N
XLogP4.26
TPSA37.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride?
The IUPAC name of N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride (CID 68867493) is N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride?
The canonical SMILES for N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride is CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl.Cl.O.
What is the InChIKey of N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride?
The InChIKey is FZGVIBCASZRJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S.2ClH.H2O/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;;;/h4-11,13H,12H2,1-3H3;2*1H;1H2.
What are the key properties of N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride?
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride has a molecular weight of 375.37 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrate;dihydrochloride is sourced from PubChem (CID 68867493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).