1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol

C23H24N2OS — CID 2896978

IUPAC1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol
SMILESOC(CNCCc1ccccc1)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H24N2OS/c26-19(16-24-15-14-18-8-2-1-3-9-18)17-25-20-10-4-6-12-22(20)27-23-13-7-5-11-21(23)25/h1-13,19,24,26H,14-17H2
InChIKeyQYDAVASGWIIARR-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.48
Rot. Bonds7

About 1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol

1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol (PubChem CID 2896978) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol
PubChem CID2896978
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol
SMILESOC(CNCCc1ccccc1)CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H24N2OS/c26-19(16-24-15-14-18-8-2-1-3-9-18)17-25-20-10-4-6-12-22(20)27-23-13-7-5-11-21(23)25/h1-13,19,24,26H,14-17H2
InChIKeyQYDAVASGWIIARR-UHFFFAOYSA-N
XLogP4.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol 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

N-benzyl-N-methyl-3-phenothiazin-10-ylpropan-1-amine
CID 118724300
4-[4-[1-(10H-phenothiazin-2-yl)ethenyl]phenyl]morpholine
CID 141758669
1-(diethylamino)-3-(10H-phenothiazin-10-yl)propan-2-ol
CID 2897584
N-(2-phenylethyl)-10H-phenothiazine-10-carboxamide
CID 704266
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
2-[4-[3-(10H-phenothiazin-2-yl)propyl]piperazin-1-yl]ethanol;dihydrochloride
CID 45262890
N-methyl-3-phenothiazin-10-yl-N-(2-phenylethyl)propan-1-amine
CID 118724308
4-[3-[1-(10H-phenothiazin-2-yl)ethyl]phenyl]morpholine
CID 162659406
1-(2-Hydroxy-ethylamino)-3-phenothiazin-10-yl-propan-2-ol
CID 3144939
2-(hydroxymethyl)-2-{[2-hydroxy-3-(10H-phenothiazin-10-yl)propyl]amino}propane-1,3-diol
CID 3859876

Frequently Asked Questions

What is the IUPAC name of 1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol?
The IUPAC name of 1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol (CID 2896978) is 1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol.
What is the SMILES notation for 1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol?
The canonical SMILES for 1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol is OC(CNCCc1ccccc1)CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol?
The InChIKey is QYDAVASGWIIARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c26-19(16-24-15-14-18-8-2-1-3-9-18)17-25-20-10-4-6-12-22(20)27-23-13-7-5-11-21(23)25/h1-13,19,24,26H,14-17H2.
What are the key properties of 1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol?
1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol has a molecular weight of 376.53 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenothiazin-10-yl-3-(2-phenylethylamino)propan-2-ol is sourced from PubChem (CID 2896978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).