3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine

C17H19ClN2S — CID 2726

IUPAC3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyZPEIMTDSQAKGNT-UHFFFAOYSA-N
MW318.87 g/mol
LogP4.89
Rot. Bonds4

About 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine

3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine (PubChem CID 2726) has the molecular formula C17H19ClN2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
PubChem CID2726
Molecular FormulaC17H19ClN2S
Molecular Weight318.87 g/mol
Exact Mass318.10
IUPAC Name3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyZPEIMTDSQAKGNT-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Perphenazine
CID 4748
Promethazine
CID 4927
(+-)-Trimeprazine
CID 5574
Promazine
CID 4926
Prochlorperazine
CID 4917
Promethazine Hydrochloride
CID 6014
Chlorpromazine Hydrochloride
CID 6240
Perazine
CID 4744
(+-)-Ethopropazine
CID 3290
Methdilazine Hydrochloride
CID 14676
Promazine Hydrochloride
CID 5887
Prochlorperazine Edisylate
CID 91499

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine (CID 2726) is 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is ZPEIMTDSQAKGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3.
What are the key properties of 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine?
3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 318.87 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 2726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).