N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine

C17H20N2OS — CID 15129039

IUPACN,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine
SMILESCN(C)CCOc1ccc2c(c1)N(C)c1ccccc1S2
InChIInChI=1S/C17H20N2OS/c1-18(2)10-11-20-13-8-9-17-15(12-13)19(3)14-6-4-5-7-16(14)21-17/h4-9,12H,10-11H2,1-3H3
InChIKeyCFAPUZTZNQTNSI-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.86
Rot. Bonds4

About N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine

N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine (PubChem CID 15129039) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine
PubChem CID15129039
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine
SMILESCN(C)CCOc1ccc2c(c1)N(C)c1ccccc1S2
InChIInChI=1S/C17H20N2OS/c1-18(2)10-11-20-13-8-9-17-15(12-13)19(3)14-6-4-5-7-16(14)21-17/h4-9,12H,10-11H2,1-3H3
InChIKeyCFAPUZTZNQTNSI-UHFFFAOYSA-N
XLogP3.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine?
The IUPAC name of N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine (CID 15129039) is N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine is CN(C)CCOc1ccc2c(c1)N(C)c1ccccc1S2.
What is the InChIKey of N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine?
The InChIKey is CFAPUZTZNQTNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-18(2)10-11-20-13-8-9-17-15(12-13)19(3)14-6-4-5-7-16(14)21-17/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine?
N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine has a molecular weight of 300.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine is sourced from PubChem (CID 15129039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).