1-(2-phenylethyl)-10H-phenothiazine

C20H17NS — CID 141163863

IUPAC1-(2-phenylethyl)-10H-phenothiazine
SMILESc1ccc(CCc2cccc3c2Nc2ccccc2S3)cc1
InChIInChI=1S/C20H17NS/c1-2-7-15(8-3-1)13-14-16-9-6-12-19-20(16)21-17-10-4-5-11-18(17)22-19/h1-12,21H,13-14H2
InChIKeyRWIPEJBUFNRVFM-UHFFFAOYSA-N
MW303.43 g/mol
LogP5.68
Rot. Bonds3

About 1-(2-phenylethyl)-10H-phenothiazine

1-(2-phenylethyl)-10H-phenothiazine (PubChem CID 141163863) has the molecular formula C20H17NS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(2-phenylethyl)-10H-phenothiazine.

Molecular Properties

Compound Name1-(2-phenylethyl)-10H-phenothiazine
PubChem CID141163863
Molecular FormulaC20H17NS
Molecular Weight303.43 g/mol
Exact Mass303.11
IUPAC Name1-(2-phenylethyl)-10H-phenothiazine
SMILESc1ccc(CCc2cccc3c2Nc2ccccc2S3)cc1
InChIInChI=1S/C20H17NS/c1-2-7-15(8-3-1)13-14-16-9-6-12-19-20(16)21-17-10-4-5-11-18(17)22-19/h1-12,21H,13-14H2
InChIKeyRWIPEJBUFNRVFM-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.43
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(10H-phenothiazin-1-yl)hexyl]-10H-phenothiazine
CID 141242278
1-butyl-10H-phenothiazine;hydrate;tetrahydroiodide
CID 173481515
2-[2-(10H-phenothiazin-1-yl)ethoxy]ethanol
CID 57147596
3-(10H-phenothiazin-1-yl)prop-1-en-1-amine
CID 66898751
ethane;10H-phenothiazine
CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
N-(10H-phenothiazin-1-yl)-10H-phenothiazin-1-amine
CID 156694386
1-(dichloromethyl)-10H-phenothiazine
CID 175351816
10H-phenothiazine-1-carbaldehyde
CID 12553558
boric acid;10H-phenothiazine
CID 159987394
1-(10H-phenothiazin-1-yl)-3-phenylurea
CID 139973448
1-propan-2-yl-10H-phenothiazine;hydrate;tetrahydroiodide
CID 173481491

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-10H-phenothiazine?
The IUPAC name of 1-(2-phenylethyl)-10H-phenothiazine (CID 141163863) is 1-(2-phenylethyl)-10H-phenothiazine.
What is the SMILES notation for 1-(2-phenylethyl)-10H-phenothiazine?
The canonical SMILES for 1-(2-phenylethyl)-10H-phenothiazine is c1ccc(CCc2cccc3c2Nc2ccccc2S3)cc1.
What is the InChIKey of 1-(2-phenylethyl)-10H-phenothiazine?
The InChIKey is RWIPEJBUFNRVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NS/c1-2-7-15(8-3-1)13-14-16-9-6-12-19-20(16)21-17-10-4-5-11-18(17)22-19/h1-12,21H,13-14H2.
What are the key properties of 1-(2-phenylethyl)-10H-phenothiazine?
1-(2-phenylethyl)-10H-phenothiazine has a molecular weight of 303.43 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-10H-phenothiazine is sourced from PubChem (CID 141163863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).