4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine

C13H14ClFN4O — CID 62858377

IUPAC4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C13H14ClFN4O/c1-3-20-13-18-11(14)17-12(19-13)16-8(2)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H,16,17,18,19)
InChIKeyQBLAOLAJEAYQHK-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.24
Rot. Bonds5

About 4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 62858377) has the molecular formula C13H14ClFN4O and a molecular weight of 296.73 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine
PubChem CID62858377
Molecular FormulaC13H14ClFN4O
Molecular Weight296.73 g/mol
Exact Mass296.08
IUPAC Name4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C13H14ClFN4O/c1-3-20-13-18-11(14)17-12(19-13)16-8(2)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H,16,17,18,19)
InChIKeyQBLAOLAJEAYQHK-UHFFFAOYSA-N
XLogP3.24
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 62859055
4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 80901930
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 62857388
4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62857670
4-[1-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]benzonitrile
CID 62858975
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine
CID 62859394
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858365
N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80901413
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115974734
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 107576870

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine (CID 62858377) is 4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NC(C)c2ccc(F)cc2)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is QBLAOLAJEAYQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O/c1-3-20-13-18-11(14)17-12(19-13)16-8(2)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 296.73 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).