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

C19H24N2S — CID 3290

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IUPACN,N-diethyl-1-phenothiazin-10-ylpropan-2-amine
SMILESCCN(CC)C(C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
InChIKeyCDOZDBSBBXSXLB-UHFFFAOYSA-N
MW312.48 g/mol
LogP5.02
Rot. Bonds5

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

N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine (PubChem CID 3290) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1-phenothiazin-10-ylpropan-2-amine
PubChem CID3290
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC NameN,N-diethyl-1-phenothiazin-10-ylpropan-2-amine
SMILESCCN(CC)C(C)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
InChIKeyCDOZDBSBBXSXLB-UHFFFAOYSA-N
XLogP5.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.02
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
(+-)-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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine?
The IUPAC name of N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine (CID 3290) is N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine.
What is the SMILES notation for N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine?
The canonical SMILES for N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine is CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine?
The InChIKey is CDOZDBSBBXSXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3.
What are the key properties of N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine?
N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine has a molecular weight of 312.48 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine is sourced from PubChem (CID 3290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).