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

C27H36N2OS — CID 3757815

IUPAC1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol
SMILESOC(CN1c2ccccc2Sc2ccccc21)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H36N2OS/c30-23(19-28(21-11-3-1-4-12-21)22-13-5-2-6-14-22)20-29-24-15-7-9-17-26(24)31-27-18-10-8-16-25(27)29/h7-10,15-18,21-23,30H,1-6,11-14,19-20H2
InChIKeyFXLFZOHESFVIIP-UHFFFAOYSA-N
MW436.67 g/mol
LogP6.62
Rot. Bonds6

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

1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol (PubChem CID 3757815) has the molecular formula C27H36N2OS and a molecular weight of 436.67 g/mol. Its IUPAC name is 1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol.

Molecular Properties

Compound Name1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol
PubChem CID3757815
Molecular FormulaC27H36N2OS
Molecular Weight436.67 g/mol
Exact Mass436.25
IUPAC Name1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol
SMILESOC(CN1c2ccccc2Sc2ccccc21)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H36N2OS/c30-23(19-28(21-11-3-1-4-12-21)22-13-5-2-6-14-22)20-29-24-15-7-9-17-26(24)31-27-18-10-8-16-25(27)29/h7-10,15-18,21-23,30H,1-6,11-14,19-20H2
InChIKeyFXLFZOHESFVIIP-UHFFFAOYSA-N
XLogP6.62
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.67
LogP ≤ 56.62
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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Related Compounds

Dixyrazine
CID 17182
Hydroxyethylpromethazine
CID 16406
1-(10H-phenothiazin-10-yl)propan-2-ol
CID 377558
1-(diethylamino)-3-(10H-phenothiazin-10-yl)propan-2-ol
CID 2897584
Morazine
CID 165278
1-(4-methylpiperidin-1-yl)-3-(10H-phenothiazin-10-yl)propan-2-ol
CID 2896762
1-[bis(2-hydroxyethyl)amino]-3-(10H-phenothiazin-10-yl)propan-2-ol
CID 24761478
1-(2-Hydroxy-ethylamino)-3-phenothiazin-10-yl-propan-2-ol
CID 3144939
1-(4-Phenylpiperazin-1-yl)-3-(phenylsulfanyl)propan-2-ol
CID 260265
1-(10H-phenothiazin-10-yl)-3-[(2-phenylethyl)amino]-2-propanol
CID 2896978
2-(hydroxymethyl)-2-{[2-hydroxy-3-(10H-phenothiazin-10-yl)propyl]amino}propane-1,3-diol
CID 3859876
2-(10H-Phenothiazin-10-yl)ethanol
CID 352306

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol?
The IUPAC name of 1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol (CID 3757815) is 1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol.
What is the SMILES notation for 1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol?
The canonical SMILES for 1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol is OC(CN1c2ccccc2Sc2ccccc21)CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol?
The InChIKey is FXLFZOHESFVIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2OS/c30-23(19-28(21-11-3-1-4-12-21)22-13-5-2-6-14-22)20-29-24-15-7-9-17-26(24)31-27-18-10-8-16-25(27)29/h7-10,15-18,21-23,30H,1-6,11-14,19-20H2.
What are the key properties of 1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol?
1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol has a molecular weight of 436.67 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclohexylamino)-3-phenothiazin-10-ylpropan-2-ol is sourced from PubChem (CID 3757815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).