1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide

C16H26BrN5O2 — CID 44523062

IUPAC1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.COc1ccc(CC(C)CON2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C16H25N5O2.BrH/c1-11(9-12-5-7-13(22-4)8-6-12)10-23-21-15(18)19-14(17)20-16(21,2)3;/h5-8,11H,9-10H2,1-4H3,(H4,17,18,19,20);1H
InChIKeyOAEOFDJOGRELCT-UHFFFAOYSA-N
MW400.32 g/mol
LogP2.06
Rot. Bonds6

About 1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide

1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide (PubChem CID 44523062) has the molecular formula C16H26BrN5O2 and a molecular weight of 400.32 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
PubChem CID44523062
Molecular FormulaC16H26BrN5O2
Molecular Weight400.32 g/mol
Exact Mass399.13
IUPAC Name1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.COc1ccc(CC(C)CON2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C16H25N5O2.BrH/c1-11(9-12-5-7-13(22-4)8-6-12)10-23-21-15(18)19-14(17)20-16(21,2)3;/h5-8,11H,9-10H2,1-4H3,(H4,17,18,19,20);1H
InChIKeyOAEOFDJOGRELCT-UHFFFAOYSA-N
XLogP2.06
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide with MolForge

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Related Compounds

1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134106876
1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 134124598
1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117027
1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 3008692
1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134126228
1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117011
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44522556
4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine
CID 82542750
1-[(2-chloro-5-phenylphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117018
6,6-dimethyl-1-[(2,4,5-trichlorophenoxy)methoxy]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44523150
4-(4-methoxyphenyl)-3-methylbutanal
CID 19846631

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The IUPAC name of 1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide (CID 44523062) is 1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide is Br.COc1ccc(CC(C)CON2C(N)=NC(N)=NC2(C)C)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The InChIKey is OAEOFDJOGRELCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2.BrH/c1-11(9-12-5-7-13(22-4)8-6-12)10-23-21-15(18)19-14(17)20-16(21,2)3;/h5-8,11H,9-10H2,1-4H3,(H4,17,18,19,20);1H.
What are the key properties of 1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide has a molecular weight of 400.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide is sourced from PubChem (CID 44523062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).