N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine

C18H22N2S — CID 5574

IUPACN,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
SMILESCC(CN(C)C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
InChIKeyZZHLYYDVIOPZBE-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.49
Rot. Bonds4

About N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine

N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine (PubChem CID 5574) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
PubChem CID5574
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC NameN,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
SMILESCC(CN(C)C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
InChIKeyZZHLYYDVIOPZBE-UHFFFAOYSA-N
XLogP4.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.49
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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Related Compounds

Phenothiazine
CID 7108
Chlorpromazine
CID 2726
Promethazine
CID 4927
Mesoridazine
CID 4078
Promazine
CID 4926
Thioridazine
CID 5452
Triflupromazine
CID 5568
Thiethylperazine
CID 5440
Promethazine Hydrochloride
CID 6014
Chlorpromazine Hydrochloride
CID 6240
Thioridazine Hydrochloride
CID 66062
Mequitazine
CID 4066

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine?
The IUPAC name of N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine (CID 5574) is N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine.
What is the SMILES notation for N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine?
The canonical SMILES for N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine is CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine?
The InChIKey is ZZHLYYDVIOPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine?
N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine has a molecular weight of 298.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine is sourced from PubChem (CID 5574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).