10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride

C17H20Cl2N2OS — CID 139024765

IUPAC10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc21)C([2H])([2H])[2H]
InChIInChI=1S/C17H19ClN2OS.ClH/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20;/h4-7,10-11,21H,3,8-9H2,1-2H3;1H/i1D3,2D3;
InChIKeyOTIORHLXOLCOAV-TXHXQZCNSA-N
MW377.37 g/mol
LogP5.02
Rot. Bonds6

About 10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride

10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride (PubChem CID 139024765) has the molecular formula C17H20Cl2N2OS and a molecular weight of 377.37 g/mol. Its IUPAC name is 10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride.

Molecular Properties

Compound Name10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride
PubChem CID139024765
Molecular FormulaC17H20Cl2N2OS
Molecular Weight377.37 g/mol
Exact Mass376.11
IUPAC Name10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride
SMILESCl.[2H]C([2H])([2H])N(CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc21)C([2H])([2H])[2H]
InChIInChI=1S/C17H19ClN2OS.ClH/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20;/h4-7,10-11,21H,3,8-9H2,1-2H3;1H/i1D3,2D3;
InChIKeyOTIORHLXOLCOAV-TXHXQZCNSA-N
XLogP5.02
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.37
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol
CID 57369155
3-(8-chloro-1,2,3,4-tetradeuteriophenothiazin-10-yl)-N,N-bis(trideuteriomethyl)propan-1-amine
CID 46198787
3-(2-chlorophenothiazin-10-yl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)propan-1-amine;hydrochloride
CID 71314834
8-chloro-10-[3-(dimethylamino)propyl]phenothiazine-1,3-diol
CID 12519492
1-[10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-yl]ethanone
CID 71312308
3-(2-chlorobenzo[b][1]benzazepin-11-yl)-N,N-bis(trideuteriomethyl)propan-1-amine
CID 162641277
acetic acid;8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-4-ol
CID 71438522
3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
CID 163912126
3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 110174342
3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
CID 129318631
3-(3-chlorophenothiazin-10-yl)propan-1-ol
CID 163458253
3-(2-chlorophenothiazin-10-yl)-N-dimethoxyphosphoryl-N-methylpropan-1-amine
CID 58600270

Frequently Asked Questions

What is the IUPAC name of 10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride?
The IUPAC name of 10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride (CID 139024765) is 10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride.
What is the SMILES notation for 10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride?
The canonical SMILES for 10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride is Cl.[2H]C([2H])([2H])N(CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc21)C([2H])([2H])[2H].
What is the InChIKey of 10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride?
The InChIKey is OTIORHLXOLCOAV-TXHXQZCNSA-N. The full InChI is InChI=1S/C17H19ClN2OS.ClH/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20;/h4-7,10-11,21H,3,8-9H2,1-2H3;1H/i1D3,2D3;.
What are the key properties of 10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride?
10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride has a molecular weight of 377.37 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[bis(trideuteriomethyl)amino]propyl]-8-chlorophenothiazin-3-ol;hydrochloride is sourced from PubChem (CID 139024765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).