N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride

C17H21ClN2S — CID 5887

IUPACN,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1c2ccccc2Sc2ccccc21.Cl
InChIInChI=1S/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H
InChIKeyJIVSXRLRGOICGA-UHFFFAOYSA-N
MW320.89 g/mol
LogP4.66
Rot. Bonds4

About N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride

N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride (PubChem CID 5887) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride
PubChem CID5887
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC NameN,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1c2ccccc2Sc2ccccc21.Cl
InChIInChI=1S/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H
InChIKeyJIVSXRLRGOICGA-UHFFFAOYSA-N
XLogP4.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 54.66
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-3-phenothiazin-10-ylpropan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride (CID 5887) is N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride is CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl.
What is the InChIKey of N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride?
The InChIKey is JIVSXRLRGOICGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride?
N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 5887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).