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

C15H23BrFN5O — CID 134106876

IUPAC1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC(CON1C(N)=NC(N)=NC1(C)C)Cc1ccccc1F
InChIInChI=1S/C15H22FN5O.BrH/c1-10(8-11-6-4-5-7-12(11)16)9-22-21-14(18)19-13(17)20-15(21,2)3;/h4-7,10H,8-9H2,1-3H3,(H4,17,18,19,20);1H
InChIKeyHIMBYIFICBJEGZ-UHFFFAOYSA-N
MW388.29 g/mol
LogP2.19
Rot. Bonds5

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

1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide (PubChem CID 134106876) has the molecular formula C15H23BrFN5O and a molecular weight of 388.29 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
PubChem CID134106876
Molecular FormulaC15H23BrFN5O
Molecular Weight388.29 g/mol
Exact Mass387.11
IUPAC Name1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC(CON1C(N)=NC(N)=NC1(C)C)Cc1ccccc1F
InChIInChI=1S/C15H22FN5O.BrH/c1-10(8-11-6-4-5-7-12(11)16)9-22-21-14(18)19-13(17)20-15(21,2)3;/h4-7,10H,8-9H2,1-3H3,(H4,17,18,19,20);1H
InChIKeyHIMBYIFICBJEGZ-UHFFFAOYSA-N
XLogP2.19
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[3-(4-fluoro-3-phenylphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 134124598
1-[2-(2,6-difluorophenyl)ethoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 67730273
1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 134126209
1-[3-(4-chlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 10871077
1-heptoxy-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 3008677
1-(3-bromo-2-methylpentyl)-2-fluorobenzene
CID 63561092
2-[(2-fluorophenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62530603
1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 114420088
2-methylpropyl (2S)-2-amino-3-(2-fluorophenyl)propanoate
CID 102062750
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
5-[(2-fluorophenyl)methyl]-5-methyl-1,4-dihydroimidazol-2-amine
CID 114835134
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The IUPAC name of 1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide (CID 134106876) is 1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The canonical SMILES for 1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide is Br.CC(CON1C(N)=NC(N)=NC1(C)C)Cc1ccccc1F.
What is the InChIKey of 1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The InChIKey is HIMBYIFICBJEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O.BrH/c1-10(8-11-6-4-5-7-12(11)16)9-22-21-14(18)19-13(17)20-15(21,2)3;/h4-7,10H,8-9H2,1-3H3,(H4,17,18,19,20);1H.
What are the key properties of 1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide has a molecular weight of 388.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide is sourced from PubChem (CID 134106876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).