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

C19H24N2OS — CID 3916

IUPAC3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
SMILESCOc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2
InChIInChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3
InChIKeyVRQVVMDWGGWHTJ-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.50
Rot. Bonds5

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

3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine (PubChem CID 3916) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
PubChem CID3916
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
SMILESCOc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2
InChIInChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3
InChIKeyVRQVVMDWGGWHTJ-UHFFFAOYSA-N
XLogP4.50
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine (CID 3916) is 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine is COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2.
What is the InChIKey of 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine?
The InChIKey is VRQVVMDWGGWHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3.
What are the key properties of 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine?
3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine has a molecular weight of 328.48 g/mol, XLogP of 4.50, 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,2-trimethylpropan-1-amine is sourced from PubChem (CID 3916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).