1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol

C19H24N2OS — CID 2897584

IUPAC1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol
SMILESCCN(CC)CC(O)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H24N2OS/c1-3-20(4-2)13-15(22)14-21-16-9-5-7-11-18(16)23-19-12-8-6-10-17(19)21/h5-12,15,22H,3-4,13-14H2,1-2H3
InChIKeyHKIGNQYJMXLHTG-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.99
Rot. Bonds6

About 1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol

1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol (PubChem CID 2897584) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol
PubChem CID2897584
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol
SMILESCCN(CC)CC(O)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H24N2OS/c1-3-20(4-2)13-15(22)14-21-16-9-5-7-11-18(16)23-19-12-8-6-10-17(19)21/h5-12,15,22H,3-4,13-14H2,1-2H3
InChIKeyHKIGNQYJMXLHTG-UHFFFAOYSA-N
XLogP3.99
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol?
The IUPAC name of 1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol (CID 2897584) is 1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol is CCN(CC)CC(O)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol?
The InChIKey is HKIGNQYJMXLHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-3-20(4-2)13-15(22)14-21-16-9-5-7-11-18(16)23-19-12-8-6-10-17(19)21/h5-12,15,22H,3-4,13-14H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol?
1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol has a molecular weight of 328.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-phenothiazin-10-ylpropan-2-ol is sourced from PubChem (CID 2897584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).