3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium

C19H24ClN2S+ — CID 4109407

IUPAC3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium
SMILESCC[NH+](CC)CCCN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3/p+1
InChIKeyDBOUGBAQLIXZLV-UHFFFAOYSA-O
MW347.94 g/mol
LogP4.26
Rot. Bonds6

About 3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium

3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium (PubChem CID 4109407) has the molecular formula C19H24ClN2S+ and a molecular weight of 347.94 g/mol. Its IUPAC name is 3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium.

Molecular Properties

Compound Name3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium
PubChem CID4109407
Molecular FormulaC19H24ClN2S+
Molecular Weight347.94 g/mol
Exact Mass347.13
IUPAC Name3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium
SMILESCC[NH+](CC)CCCN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3/p+1
InChIKeyDBOUGBAQLIXZLV-UHFFFAOYSA-O
XLogP4.26
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.94
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl(2-phenothiazin-10-ylethyl)azanium
CID 6918965
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
2-chloro-10-(4-methylheptyl)phenothiazine
CID 155242935
1-(2-chlorophenothiazin-10-yl)-N,N-dimethylheptan-4-amine
CID 19029744
1-(2-chlorophenothiazin-10-yl)heptan-4-yl-dimethylazanium bromide
CID 19029743
3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
CID 163912126
2-chloro-10-[3-(4-methylpiperazin-1-ium-1-yl)propyl]phenothiazine
CID 25203624
2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine
CID 91189006
3-(2-chlorophenothiazin-10-yl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)propan-1-amine;hydrochloride
CID 71314834
3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 110174342
2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride
CID 178190515
3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(3-methylbutyl)azanium bromide
CID 155234289

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium?
The IUPAC name of 3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium (CID 4109407) is 3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium.
What is the SMILES notation for 3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium?
The canonical SMILES for 3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium is CC[NH+](CC)CCCN1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium?
The InChIKey is DBOUGBAQLIXZLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3/p+1.
What are the key properties of 3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium?
3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium has a molecular weight of 347.94 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenothiazin-10-yl)propyl-diethylazanium is sourced from PubChem (CID 4109407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).