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

C12H12ClFN4O — CID 62857670

IUPAC4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NC(C)c2cccc(F)c2)n1
InChIInChI=1S/C12H12ClFN4O/c1-7(8-4-3-5-9(14)6-8)15-11-16-10(13)17-12(18-11)19-2/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyFKXUWZUHTGENSY-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.85
Rot. Bonds4

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

4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 62857670) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
PubChem CID62857670
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NC(C)c2cccc(F)c2)n1
InChIInChI=1S/C12H12ClFN4O/c1-7(8-4-3-5-9(14)6-8)15-11-16-10(13)17-12(18-11)19-2/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyFKXUWZUHTGENSY-UHFFFAOYSA-N
XLogP2.85
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]benzonitrile
CID 62858975
6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660
N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905490
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43111565
2-chloro-N-[1-(3-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697603
2-chloro-6-[1-(3-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83072975
4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62859359
3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102761800
N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62858822

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine (CID 62857670) is 4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NC(C)c2cccc(F)c2)n1.
What is the InChIKey of 4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is FKXUWZUHTGENSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-7(8-4-3-5-9(14)6-8)15-11-16-10(13)17-12(18-11)19-2/h3-7H,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 282.71 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62857670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).