4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine

C14H16Cl2N4O — CID 62868301

IUPAC4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2ccc(C)cc2Cl)n1
InChIInChI=1S/C14H16Cl2N4O/c1-4-20(5-2)13-17-12(16)18-14(19-13)21-11-7-6-9(3)8-10(11)15/h6-8H,4-5H2,1-3H3
InChIKeyTXJMLUVPHBIFQY-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.13
Rot. Bonds5

About 4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine

4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine (PubChem CID 62868301) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
PubChem CID62868301
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2ccc(C)cc2Cl)n1
InChIInChI=1S/C14H16Cl2N4O/c1-4-20(5-2)13-17-12(16)18-14(19-13)21-11-7-6-9(3)8-10(11)15/h6-8H,4-5H2,1-3H3
InChIKeyTXJMLUVPHBIFQY-UHFFFAOYSA-N
XLogP4.13
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-Chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine
CID 122641806
4-[2-Chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 122641823
2-Chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868931
4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62869105
4-chloro-6-(2-chloro-4-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62869106
6-(2-chloro-4-fluorophenoxy)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80865268
4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine
CID 107169135
4-chloro-6-(2-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 13101695
4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 13101696
4-chloro-6-(4-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 13101697
4-chloro-6-(4-chloro-2-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 15569241
4-chloro-6-(4-chloro-3-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 15569242

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine (CID 62868301) is 4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Oc2ccc(C)cc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The InChIKey is TXJMLUVPHBIFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-4-20(5-2)13-17-12(16)18-14(19-13)21-11-7-6-9(3)8-10(11)15/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine has a molecular weight of 327.22 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).