10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol

C18H22N2OS — CID 71407413

IUPAC10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol
SMILESC[C@H](CN(C)C)CN1c2ccccc2Sc2ccc(O)cc21
InChIInChI=1S/C18H22N2OS/c1-13(11-19(2)3)12-20-15-6-4-5-7-17(15)22-18-9-8-14(21)10-16(18)20/h4-10,13,21H,11-12H2,1-3H3/t13-/m1/s1
InChIKeyXLYJXWKJHKLGQO-CYBMUJFWSA-N
MW314.45 g/mol
LogP4.19
Rot. Bonds4

About 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol

10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol (PubChem CID 71407413) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol.

Molecular Properties

Compound Name10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol
PubChem CID71407413
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol
SMILESC[C@H](CN(C)C)CN1c2ccccc2Sc2ccc(O)cc21
InChIInChI=1S/C18H22N2OS/c1-13(11-19(2)3)12-20-15-6-4-5-7-17(15)22-18-9-8-14(21)10-16(18)20/h4-10,13,21H,11-12H2,1-3H3/t13-/m1/s1
InChIKeyXLYJXWKJHKLGQO-CYBMUJFWSA-N
XLogP4.19
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol?
The IUPAC name of 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol (CID 71407413) is 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol.
What is the SMILES notation for 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol?
The canonical SMILES for 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol is C[C@H](CN(C)C)CN1c2ccccc2Sc2ccc(O)cc21.
What is the InChIKey of 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol?
The InChIKey is XLYJXWKJHKLGQO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13(11-19(2)3)12-20-15-6-4-5-7-17(15)22-18-9-8-14(21)10-16(18)20/h4-10,13,21H,11-12H2,1-3H3/t13-/m1/s1.
What are the key properties of 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol?
10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol has a molecular weight of 314.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2R)-3-(dimethylamino)-2-methylpropyl]phenothiazin-2-ol is sourced from PubChem (CID 71407413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).