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

C18H22N2OS — CID 18847

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IUPAC3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCOc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C18H22N2OS/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyBRABPYPSZVCCLR-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.25
Rot. Bonds5

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

3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine (PubChem CID 18847) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
PubChem CID18847
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCOc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C18H22N2OS/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyBRABPYPSZVCCLR-UHFFFAOYSA-N
XLogP4.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenothiazin-10-yl]-N,N-dimethylpropan-1-amine
CID 10570197
2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;methane;3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
CID 158795285
10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol
CID 57369155
N,N-dimethyl-2-phenothiazin-10-ylethanamine;iodomethane
CID 23622918
2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine
CID 53298655
3-(2-chlorophenothiazin-10-yl)-N-dimethoxyphosphoryl-N-methylpropan-1-amine
CID 58600270
N,N-dimethyl-2-(10-methylphenothiazin-2-yl)oxyethanamine
CID 15129039
[(2S)-3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]-dimethylazanium
CID 6919170
N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride
CID 71587927
(Z)-but-2-enedioate;1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one
CID 20838698
but-2-enedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 53395205
(Z)-but-2-enedioic acid;3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CID 6420056

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine (CID 18847) is 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine is COc1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.
What is the InChIKey of 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is BRABPYPSZVCCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3.
What are the key properties of 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine?
3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 314.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 18847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).