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

C17H20N2O2S — CID 3144939

IUPAC1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol
SMILESOCCNCC(O)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H20N2O2S/c20-10-9-18-11-13(21)12-19-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)19/h1-8,13,18,20-21H,9-12H2
InChIKeyDYMIJVHRNQRZDH-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.23
Rot. Bonds6

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

1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol (PubChem CID 3144939) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol
PubChem CID3144939
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol
SMILESOCCNCC(O)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H20N2O2S/c20-10-9-18-11-13(21)12-19-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)19/h1-8,13,18,20-21H,9-12H2
InChIKeyDYMIJVHRNQRZDH-UHFFFAOYSA-N
XLogP2.23
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Desmonomethylpromazine
CID 28315
Hydroxyethylpromethazine
CID 16406
N,alpha-Dimethyl-10H-phenothiazine-10-ethanamine
CID 169959
1-(10H-phenothiazin-10-yl)propan-2-ol
CID 377558
10-Piperazinylpropylphenothiazine
CID 151090
2-(2-Methoxy-ethylamino)-1-phenothiazin-10-yl-ethanone
CID 3215288
1-(diethylamino)-3-(10H-phenothiazin-10-yl)propan-2-ol
CID 2897584
3-(10H-phenothiazin-10-yl)propan-1-amine
CID 11079240
Morazine
CID 165278
1-(4-methylpiperidin-1-yl)-3-(10H-phenothiazin-10-yl)propan-2-ol
CID 2896762
1-(dicyclohexylamino)-3-(10H-phenothiazin-10-yl)propan-2-ol
CID 3757815
1-[bis(2-hydroxyethyl)amino]-3-(10H-phenothiazin-10-yl)propan-2-ol
CID 24761478

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol?
The IUPAC name of 1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol (CID 3144939) is 1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol.
What is the SMILES notation for 1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol?
The canonical SMILES for 1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol is OCCNCC(O)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol?
The InChIKey is DYMIJVHRNQRZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-10-9-18-11-13(21)12-19-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)19/h1-8,13,18,20-21H,9-12H2.
What are the key properties of 1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol?
1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol has a molecular weight of 316.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)-3-phenothiazin-10-ylpropan-2-ol is sourced from PubChem (CID 3144939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).