N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine

C17H20N2S — CID 4927

💊View drug profile → promethazine
IUPACN,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine
SMILESCC(CN1c2ccccc2Sc2ccccc21)N(C)C
InChIInChI=1S/C17H20N2S/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
InChIKeyPWWVAXIEGOYWEE-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.24
Rot. Bonds3

About N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine

N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine (PubChem CID 4927) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine
PubChem CID4927
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine
SMILESCC(CN1c2ccccc2Sc2ccccc21)N(C)C
InChIInChI=1S/C17H20N2S/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
InChIKeyPWWVAXIEGOYWEE-UHFFFAOYSA-N
XLogP4.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.24
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
(+-)-Trimeprazine
CID 5574
Mesoridazine
CID 4078
Promazine
CID 4926
Thioridazine
CID 5452
Prochlorperazine
CID 4917
Thiethylperazine
CID 5440
Promethazine Hydrochloride
CID 6014
Chlorpromazine Hydrochloride
CID 6240
Thioridazine Hydrochloride
CID 66062
Perazine
CID 4744

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine?
The IUPAC name of N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine (CID 4927) is N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine?
The canonical SMILES for N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine is CC(CN1c2ccccc2Sc2ccccc21)N(C)C.
What is the InChIKey of N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine?
The InChIKey is PWWVAXIEGOYWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/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.
What are the key properties of N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine?
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine has a molecular weight of 284.43 g/mol, XLogP of 4.24, 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 is sourced from PubChem (CID 4927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).