1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C14H19Cl2N5O2 — CID 46829298

IUPAC1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N5O2/c1-14(2)20-12(17)19-13(18)21(14)23-8-4-7-22-10-6-3-5-9(15)11(10)16/h3,5-6H,4,7-8H2,1-2H3,(H4,17,18,19,20)
InChIKeyZEXYNHJGHHPEOL-UHFFFAOYSA-N
MW360.25 g/mol
LogP2.38
Rot. Bonds6

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

1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 46829298) has the molecular formula C14H19Cl2N5O2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID46829298
Molecular FormulaC14H19Cl2N5O2
Molecular Weight360.25 g/mol
Exact Mass359.09
IUPAC Name1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N5O2/c1-14(2)20-12(17)19-13(18)21(14)23-8-4-7-22-10-6-3-5-9(15)11(10)16/h3,5-6H,4,7-8H2,1-2H3,(H4,17,18,19,20)
InChIKeyZEXYNHJGHHPEOL-UHFFFAOYSA-N
XLogP2.38
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6,6-Dimethyl-1-(3-(2,4,5-trichlorophenoxy)propoxy)-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 121750
6,6-Dimethyl-1-(3-(2,4,5-trichlorophenoxy)propoxy)-1,3,5-triazine-2,4-diamine hydrochloride
CID 121749
6,6-Dimethyl-1-[3-(2,4,6-trichlorophenoxy)propoxy]-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44522917
5-[3-(2,4,5-Trichlorophenoxy)propoxy]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrobromide
CID 44522964
1-[3-(2,5-Dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44523002
2-ethyl-1-[3-(2,4,6-trichlorophenoxy)propoxy]-2H-1,3,5-triazine-4,6-diamine;hydrobromide
CID 44523026
1-[3-(2-Chlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44523087
ethyl N-[6-amino-4,4-dimethyl-5-[3-(2,4,5-trichlorophenoxy)propoxy]-1,3,5-triazin-2-yl]carbamate
CID 44523090
1-[3-(3-Chlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44523121
[[6-Amino-4,4-dimethyl-5-[3-(2,4,5-trichlorophenoxy)propoxy]-1,3,5-triazin-2-yl]amino] 2-methylpropanoate
CID 44523149
6,6-Dimethyl-1-[(2,4,5-trichlorophenoxy)methoxy]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44523150
1-[3-(3,5-Dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44523161

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 46829298) is 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1OCCCOc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZEXYNHJGHHPEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N5O2/c1-14(2)20-12(17)19-13(18)21(14)23-8-4-7-22-10-6-3-5-9(15)11(10)16/h3,5-6H,4,7-8H2,1-2H3,(H4,17,18,19,20).
What are the key properties of 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 360.25 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 46829298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).