1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol

C19H23NOS — CID 10495423

IUPAC1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol
SMILESCCN1c2ccccc2Sc2c(C(O)C(C)(C)C)cccc21
InChIInChI=1S/C19H23NOS/c1-5-20-14-10-6-7-12-16(14)22-17-13(9-8-11-15(17)20)18(21)19(2,3)4/h6-12,18,21H,5H2,1-4H3
InChIKeyJMBLDLRKPAFDKG-UHFFFAOYSA-N
MW313.47 g/mol
LogP5.39
Rot. Bonds2

About 1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol

1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol (PubChem CID 10495423) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol
PubChem CID10495423
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol
SMILESCCN1c2ccccc2Sc2c(C(O)C(C)(C)C)cccc21
InChIInChI=1S/C19H23NOS/c1-5-20-14-10-6-7-12-16(14)22-17-13(9-8-11-15(17)20)18(21)19(2,3)4/h6-12,18,21H,5H2,1-4H3
InChIKeyJMBLDLRKPAFDKG-UHFFFAOYSA-N
XLogP5.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol (CID 10495423) is 1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol is CCN1c2ccccc2Sc2c(C(O)C(C)(C)C)cccc21.
What is the InChIKey of 1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is JMBLDLRKPAFDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-5-20-14-10-6-7-12-16(14)22-17-13(9-8-11-15(17)20)18(21)19(2,3)4/h6-12,18,21H,5H2,1-4H3.
What are the key properties of 1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol?
1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 313.47 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-ethylphenothiazin-4-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 10495423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).