N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride

C16H19ClN2S — CID 155804735

IUPACN-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride
SMILESCNCCCN1c2ccccc2Sc2ccccc21.Cl
InChIInChI=1S/C16H18N2S.ClH/c1-17-11-6-12-18-13-7-2-4-9-15(13)19-16-10-5-3-8-14(16)18;/h2-5,7-10,17H,6,11-12H2,1H3;1H
InChIKeyCEBUJGVTZAUTMO-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.32
Rot. Bonds4

About N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride

N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride (PubChem CID 155804735) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride
PubChem CID155804735
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC NameN-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride
SMILESCNCCCN1c2ccccc2Sc2ccccc21.Cl
InChIInChI=1S/C16H18N2S.ClH/c1-17-11-6-12-18-13-7-2-4-9-15(13)19-16-10-5-3-8-14(16)18;/h2-5,7-10,17H,6,11-12H2,1H3;1H
InChIKeyCEBUJGVTZAUTMO-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.32
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-phenothiazin-10-ylpropan-1-amine
CID 61387618
2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide
CID 119731854
10-butylphenothiazine;propane
CID 177020956
N-(4-phenothiazin-10-ylbutyl)methanesulfonamide
CID 11078573
10-butylphenothiazine;hydrate;tetrahydroiodide
CID 173485866
3-phenothiazin-10-ylpropan-1-amine
CID 11079240
10-(4-bromobutyl)phenothiazine
CID 14549797
10-(3-methylsulfonylsulfanylpropyl)phenothiazine
CID 71750044
3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine
CID 171358116
4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119731855
sodium 6-phenothiazin-10-ylhexane-1-sulfonate
CID 57336662
N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine
CID 143961192

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride?
The IUPAC name of N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride (CID 155804735) is N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride is CNCCCN1c2ccccc2Sc2ccccc21.Cl.
What is the InChIKey of N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride?
The InChIKey is CEBUJGVTZAUTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S.ClH/c1-17-11-6-12-18-13-7-2-4-9-15(13)19-16-10-5-3-8-14(16)18;/h2-5,7-10,17H,6,11-12H2,1H3;1H.
What are the key properties of N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride?
N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 155804735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).