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

C17H20Cl2N2S — CID 6240

IUPAC3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl
InChIInChI=1S/C17H19ClN2S.ClH/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;1H
InChIKeyFBSMERQALIEGJT-UHFFFAOYSA-N
MW355.33 g/mol
LogP5.32
Rot. Bonds4

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

3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 6240) has the molecular formula C17H20Cl2N2S and a molecular weight of 355.33 g/mol. Its IUPAC name is 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID6240
Molecular FormulaC17H20Cl2N2S
Molecular Weight355.33 g/mol
Exact Mass354.07
IUPAC Name3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl
InChIInChI=1S/C17H19ClN2S.ClH/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;1H
InChIKeyFBSMERQALIEGJT-UHFFFAOYSA-N
XLogP5.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.33
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride (CID 6240) is 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl.
What is the InChIKey of 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is FBSMERQALIEGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2S.ClH/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;1H.
What are the key properties of 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 355.33 g/mol, XLogP of 5.32, 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;hydrochloride is sourced from PubChem (CID 6240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).