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

C15H21Cl2N5O — CID 134110678

IUPAC1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCCCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2N5O/c1-15(2)21-13(18)20-14(19)22(15)23-8-4-3-5-10-6-7-11(16)12(17)9-10/h6-7,9H,3-5,8H2,1-2H3,(H4,18,19,20,21)
InChIKeyRPWBHHJXGHKCJB-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.93
Rot. Bonds6

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

1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 134110678) has the molecular formula C15H21Cl2N5O and a molecular weight of 358.27 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID134110678
Molecular FormulaC15H21Cl2N5O
Molecular Weight358.27 g/mol
Exact Mass357.11
IUPAC Name1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1OCCCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2N5O/c1-15(2)21-13(18)20-14(19)22(15)23-8-4-3-5-10-6-7-11(16)12(17)9-10/h6-7,9H,3-5,8H2,1-2H3,(H4,18,19,20,21)
InChIKeyRPWBHHJXGHKCJB-UHFFFAOYSA-N
XLogP2.93
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 134110678) is 1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1OCCCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RPWBHHJXGHKCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N5O/c1-15(2)21-13(18)20-14(19)22(15)23-8-4-3-5-10-6-7-11(16)12(17)9-10/h6-7,9H,3-5,8H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 358.27 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)butoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134110678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).