1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide

C18H20BrCl2N5O — CID 134117011

IUPAC1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC1(C)N=C(N)N=C(N)N1OCc1cccc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H19Cl2N5O.BrH/c1-18(2)24-16(21)23-17(22)25(18)26-10-11-4-3-5-12(8-11)13-6-7-14(19)15(20)9-13;/h3-9H,10H2,1-2H3,(H4,21,22,23,24);1H
InChIKeyCIFBDPNOEJZUID-UHFFFAOYSA-N
MW473.20 g/mol
LogP4.35
Rot. Bonds4

About 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide

1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide (PubChem CID 134117011) has the molecular formula C18H20BrCl2N5O and a molecular weight of 473.20 g/mol. Its IUPAC name is 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide.

Molecular Properties

Compound Name1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
PubChem CID134117011
Molecular FormulaC18H20BrCl2N5O
Molecular Weight473.20 g/mol
Exact Mass471.02
IUPAC Name1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC1(C)N=C(N)N=C(N)N1OCc1cccc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H19Cl2N5O.BrH/c1-18(2)24-16(21)23-17(22)25(18)26-10-11-4-3-5-12(8-11)13-6-7-14(19)15(20)9-13;/h3-9H,10H2,1-2H3,(H4,21,22,23,24);1H
InChIKeyCIFBDPNOEJZUID-UHFFFAOYSA-N
XLogP4.35
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.20
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The IUPAC name of 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide (CID 134117011) is 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide.
What is the SMILES notation for 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The canonical SMILES for 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide is Br.CC1(C)N=C(N)N=C(N)N1OCc1cccc(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The InChIKey is CIFBDPNOEJZUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O.BrH/c1-18(2)24-16(21)23-17(22)25(18)26-10-11-4-3-5-12(8-11)13-6-7-14(19)15(20)9-13;/h3-9H,10H2,1-2H3,(H4,21,22,23,24);1H.
What are the key properties of 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide has a molecular weight of 473.20 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide is sourced from PubChem (CID 134117011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).