(2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride

C18H23ClN2OS — CID 57347647

IUPAC(2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride
SMILESCNC[C@@H](C)CN1c2ccccc2Sc2ccc(OC)cc21.Cl
InChIInChI=1S/C18H22N2OS.ClH/c1-13(11-19-2)12-20-15-6-4-5-7-17(15)22-18-9-8-14(21-3)10-16(18)20;/h4-10,13,19H,11-12H2,1-3H3;1H/t13-;/m1./s1
InChIKeyQQSHLCFVEORDPG-BTQNPOSSSA-N
MW350.92 g/mol
LogP4.58
Rot. Bonds5

About (2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride

(2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 57347647) has the molecular formula C18H23ClN2OS and a molecular weight of 350.92 g/mol. Its IUPAC name is (2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride
PubChem CID57347647
Molecular FormulaC18H23ClN2OS
Molecular Weight350.92 g/mol
Exact Mass350.12
IUPAC Name(2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride
SMILESCNC[C@@H](C)CN1c2ccccc2Sc2ccc(OC)cc21.Cl
InChIInChI=1S/C18H22N2OS.ClH/c1-13(11-19-2)12-20-15-6-4-5-7-17(15)22-18-9-8-14(21-3)10-16(18)20;/h4-10,13,19H,11-12H2,1-3H3;1H/t13-;/m1./s1
InChIKeyQQSHLCFVEORDPG-BTQNPOSSSA-N
XLogP4.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Levomepromazine
CID 72287
Methotrimeprazine maleate
CID 5282484
(+-)-Methotrimeprazine
CID 3916
2-Methoxy-N,N-dimethyl-10H-phenothiazine-10-propanamine
CID 18847
Methyl phenothiazin-2-yl ether
CID 74490
Oxyridazine
CID 65612
Perimetazine
CID 62870
Dextromepromazine
CID 165002
Levomepromazine Hydrochloride
CID 11954230
10H-Phenothiazine-10-propanamine, 2-methoxy-N,N-dimethyl-, (2Z)-2-butenedioate (1:1)
CID 6433365
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 2441633
10-(3-(Dimethylamino)propyl)-10H-phenothiazin-2-ol
CID 77525

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of (2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride (CID 57347647) is (2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for (2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for (2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride is CNC[C@@H](C)CN1c2ccccc2Sc2ccc(OC)cc21.Cl.
What is the InChIKey of (2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is QQSHLCFVEORDPG-BTQNPOSSSA-N. The full InChI is InChI=1S/C18H22N2OS.ClH/c1-13(11-19-2)12-20-15-6-4-5-7-17(15)22-18-9-8-14(21-3)10-16(18)20;/h4-10,13,19H,11-12H2,1-3H3;1H/t13-;/m1./s1.
What are the key properties of (2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride?
(2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 350.92 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 57347647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).