1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C15H23N5O3 — CID 44523086

IUPAC1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CCON2C(N)=NC(N)=NC2(C)C)cc1OC
InChIInChI=1S/C15H23N5O3/c1-15(2)19-13(16)18-14(17)20(15)23-8-7-10-5-6-11(21-3)12(9-10)22-4/h5-6,9H,7-8H2,1-4H3,(H4,16,17,18,19)
InChIKeyMVARGVUGFZGHRX-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.86
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 44523086) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID44523086
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CCON2C(N)=NC(N)=NC2(C)C)cc1OC
InChIInChI=1S/C15H23N5O3/c1-15(2)19-13(16)18-14(17)20(15)23-8-7-10-5-6-11(21-3)12(9-10)22-4/h5-6,9H,7-8H2,1-4H3,(H4,16,17,18,19)
InChIKeyMVARGVUGFZGHRX-UHFFFAOYSA-N
XLogP0.86
TPSA107.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 134110678
6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 44522348
2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane
CID 121004210
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
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CID 79506309
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
4-[2-[2-(3,4-dimethoxyphenyl)ethyl-propylamino]ethyl]benzene-1,2-diamine
CID 10642093
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
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4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
CID 166514951

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 44523086) is 1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is COc1ccc(CCON2C(N)=NC(N)=NC2(C)C)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MVARGVUGFZGHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-15(2)19-13(16)18-14(17)20(15)23-8-7-10-5-6-11(21-3)12(9-10)22-4/h5-6,9H,7-8H2,1-4H3,(H4,16,17,18,19).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 321.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 44523086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).