N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride

C17H21ClN2OS — CID 45262886

IUPACN,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride
SMILESCN(C)CCCOc1ccc2c(c1)Sc1ccccc1N2.Cl
InChIInChI=1S/C17H20N2OS.ClH/c1-19(2)10-5-11-20-13-8-9-15-17(12-13)21-16-7-4-3-6-14(16)18-15;/h3-4,6-9,12,18H,5,10-11H2,1-2H3;1H
InChIKeyOAOAZMCOMPHFJW-UHFFFAOYSA-N
MW336.89 g/mol
LogP4.65
Rot. Bonds5

About N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride

N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride (PubChem CID 45262886) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride
PubChem CID45262886
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC NameN,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride
SMILESCN(C)CCCOc1ccc2c(c1)Sc1ccccc1N2.Cl
InChIInChI=1S/C17H20N2OS.ClH/c1-19(2)10-5-11-20-13-8-9-15-17(12-13)21-16-7-4-3-6-14(16)18-15;/h3-4,6-9,12,18H,5,10-11H2,1-2H3;1H
InChIKeyOAOAZMCOMPHFJW-UHFFFAOYSA-N
XLogP4.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methoxy-N,N-dimethyl-10H-phenothiazine-10-propanamine
CID 18847
3-Methoxy-10H-phenothiazine
CID 74491
3,7-Dimethoxy-10H-phenothiazine
CID 621196
Phenothiazine, 3-methoxy-10-((1-methyl-3-piperidyl)methyl)-
CID 3064149
2-[(2-aminophenyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 972877
7-methoxy-10-methyl-10H-phenothiazin-3-amine
CID 70686557
10-(4-Methoxyphenyl)-10H-phenothiazine
CID 21680087
4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 16018968
7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4H-1,4-benzothiazin-3-one
CID 44361541
7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4H-1,4-benzothiazin-3-one
CID 44361734
N,N-dimethyl-2-(10H-phenothiazin-3-yloxy)ethanamine;hydrochloride
CID 45262846
2-(10H-phenothiazin-2-yloxy)ethanamine;hydrochloride
CID 45262855

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride (CID 45262886) is N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride is CN(C)CCCOc1ccc2c(c1)Sc1ccccc1N2.Cl.
What is the InChIKey of N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride?
The InChIKey is OAOAZMCOMPHFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS.ClH/c1-19(2)10-5-11-20-13-8-9-15-17(12-13)21-16-7-4-3-6-14(16)18-15;/h3-4,6-9,12,18H,5,10-11H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride?
N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride has a molecular weight of 336.89 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(10H-phenothiazin-3-yloxy)propan-1-amine;hydrochloride is sourced from PubChem (CID 45262886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).