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

C18H19Cl2N5O — CID 134117012

IUPAC1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCc1cccc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H19Cl2N5O/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)
InChIKeyQVRQZSIFERJQTJ-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.77
Rot. Bonds4

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

1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 134117012) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID134117012
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCc1cccc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H19Cl2N5O/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)
InChIKeyQVRQZSIFERJQTJ-UHFFFAOYSA-N
XLogP3.77
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117011
1-[(2-chloro-5-phenylphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117018
1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134126228
6,6-dimethyl-1-(naphthalen-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 44522348
1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 134110678
1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117027
6,6-dimethyl-1-[(2,4,5-trichlorophenoxy)methoxy]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44523150
1-[3-(3-ethylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44522509
1-[3-(4-chlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44523060
1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 3008692
6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine
CID 44522017
6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine
CID 134098766

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?
The IUPAC name of 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 134117012) is 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is 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?
The InChIKey is QVRQZSIFERJQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/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).
What are the key properties of 1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 392.29 g/mol, XLogP of 3.77, 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 is sourced from PubChem (CID 134117012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).