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

C14H16ClFN4O — CID 107169135

IUPAC4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H16ClFN4O/c1-4-20(5-2)13-17-12(15)18-14(19-13)21-10-7-6-9(3)11(16)8-10/h6-8H,4-5H2,1-3H3
InChIKeyBLZYXWRTLCEYRR-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.61
Rot. Bonds5

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

4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 107169135) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine
PubChem CID107169135
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H16ClFN4O/c1-4-20(5-2)13-17-12(15)18-14(19-13)21-10-7-6-9(3)11(16)8-10/h6-8H,4-5H2,1-3H3
InChIKeyBLZYXWRTLCEYRR-UHFFFAOYSA-N
XLogP3.61
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine (CID 107169135) is 4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Oc2ccc(C)c(F)c2)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is BLZYXWRTLCEYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c1-4-20(5-2)13-17-12(15)18-14(19-13)21-10-7-6-9(3)11(16)8-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 310.76 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 107169135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).