10-[2-(methylamino)propyl]phenothiazin-1-ol

C16H18N2OS — CID 71420966

IUPAC10-[2-(methylamino)propyl]phenothiazin-1-ol
SMILESCNC(C)CN1c2ccccc2Sc2cccc(O)c21
InChIInChI=1S/C16H18N2OS/c1-11(17-2)10-18-12-6-3-4-8-14(12)20-15-9-5-7-13(19)16(15)18/h3-9,11,17,19H,10H2,1-2H3
InChIKeyPNIPMYGOWGBOAJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.60
Rot. Bonds3

About 10-[2-(methylamino)propyl]phenothiazin-1-ol

10-[2-(methylamino)propyl]phenothiazin-1-ol (PubChem CID 71420966) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 10-[2-(methylamino)propyl]phenothiazin-1-ol.

Molecular Properties

Compound Name10-[2-(methylamino)propyl]phenothiazin-1-ol
PubChem CID71420966
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name10-[2-(methylamino)propyl]phenothiazin-1-ol
SMILESCNC(C)CN1c2ccccc2Sc2cccc(O)c21
InChIInChI=1S/C16H18N2OS/c1-11(17-2)10-18-12-6-3-4-8-14(12)20-15-9-5-7-13(19)16(15)18/h3-9,11,17,19H,10H2,1-2H3
InChIKeyPNIPMYGOWGBOAJ-UHFFFAOYSA-N
XLogP3.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(methylamino)propyl]phenothiazin-1-ol?
The IUPAC name of 10-[2-(methylamino)propyl]phenothiazin-1-ol (CID 71420966) is 10-[2-(methylamino)propyl]phenothiazin-1-ol.
What is the SMILES notation for 10-[2-(methylamino)propyl]phenothiazin-1-ol?
The canonical SMILES for 10-[2-(methylamino)propyl]phenothiazin-1-ol is CNC(C)CN1c2ccccc2Sc2cccc(O)c21.
What is the InChIKey of 10-[2-(methylamino)propyl]phenothiazin-1-ol?
The InChIKey is PNIPMYGOWGBOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11(17-2)10-18-12-6-3-4-8-14(12)20-15-9-5-7-13(19)16(15)18/h3-9,11,17,19H,10H2,1-2H3.
What are the key properties of 10-[2-(methylamino)propyl]phenothiazin-1-ol?
10-[2-(methylamino)propyl]phenothiazin-1-ol has a molecular weight of 286.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(methylamino)propyl]phenothiazin-1-ol is sourced from PubChem (CID 71420966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).