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

C14H16ClFN4O — CID 115505193

IUPAC4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(-c2ccc(OC)cc2F)n1
InChIInChI=1S/C14H16ClFN4O/c1-4-20(5-2)14-18-12(17-13(15)19-14)10-7-6-9(21-3)8-11(10)16/h6-8H,4-5H2,1-3H3
InChIKeyICOHFWYNHUOXAP-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.19
Rot. Bonds5

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

4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 115505193) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID115505193
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(-c2ccc(OC)cc2F)n1
InChIInChI=1S/C14H16ClFN4O/c1-4-20(5-2)14-18-12(17-13(15)19-14)10-7-6-9(21-3)8-11(10)16/h6-8H,4-5H2,1-3H3
InChIKeyICOHFWYNHUOXAP-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine (CID 115505193) is 4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(-c2ccc(OC)cc2F)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is ICOHFWYNHUOXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c1-4-20(5-2)14-18-12(17-13(15)19-14)10-7-6-9(21-3)8-11(10)16/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 310.76 g/mol, XLogP of 3.19, 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-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 115505193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).