N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride

C16H19ClN2OS — CID 45262846

IUPACN,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride
SMILESCN(C)CCOc1ccc2c(c1)Sc1ccccc1N2.Cl
InChIInChI=1S/C16H18N2OS.ClH/c1-18(2)9-10-19-12-7-8-14-16(11-12)20-15-6-4-3-5-13(15)17-14;/h3-8,11,17H,9-10H2,1-2H3;1H
InChIKeySHSLBBFINGTIKM-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.26
Rot. Bonds4

About N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride

N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride (PubChem CID 45262846) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride
PubChem CID45262846
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC NameN,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride
SMILESCN(C)CCOc1ccc2c(c1)Sc1ccccc1N2.Cl
InChIInChI=1S/C16H18N2OS.ClH/c1-18(2)9-10-19-12-7-8-14-16(11-12)20-15-6-4-3-5-13(15)17-14;/h3-8,11,17H,9-10H2,1-2H3;1H
InChIKeySHSLBBFINGTIKM-UHFFFAOYSA-N
XLogP4.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.26
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride (CID 45262846) is N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride is CN(C)CCOc1ccc2c(c1)Sc1ccccc1N2.Cl.
What is the InChIKey of N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride?
The InChIKey is SHSLBBFINGTIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS.ClH/c1-18(2)9-10-19-12-7-8-14-16(11-12)20-15-6-4-3-5-13(15)17-14;/h3-8,11,17H,9-10H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride?
N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride has a molecular weight of 322.86 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride is sourced from PubChem (CID 45262846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).