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

C12H12ClFN4O — CID 62859305

IUPAC4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C12H12ClFN4O/c1-19-12-17-10(13)16-11(18-12)15-7-6-8-2-4-9(14)5-3-8/h2-5H,6-7H2,1H3,(H,15,16,17,18)
InChIKeyLUGHJTHTZFKOSC-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.33
Rot. Bonds5

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

4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 62859305) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
PubChem CID62859305
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C12H12ClFN4O/c1-19-12-17-10(13)16-11(18-12)15-7-6-8-2-4-9(14)5-3-8/h2-5H,6-7H2,1H3,(H,15,16,17,18)
InChIKeyLUGHJTHTZFKOSC-UHFFFAOYSA-N
XLogP2.33
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Allyl-N'-benzyl-6-ethoxy-[1,3,5]triazine-2,4-diamine
CID 3121126
N-benzyl-N'-(tert-butyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 778757
N2-(2-Phenylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 200798
1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-phenylethyl)-
CID 183316
6-Chloro-N-ethyl-N-((1R)-1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 184137
1,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-N'-(1-phenylethyl)-, (S)-
CID 184138
2-N-[1-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 44393075
n2,n4-Bis(4-fluorophenethyl)-n6-(3-(dimethylamino)propyl)-1,3,5-triazine-2,4,6-triamine
CID 56643402
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56646927
6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647584
2-[4-[[4,6-Bis[2-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]butyl]guanidine
CID 56647650
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(2-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647770

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine (CID 62859305) is 4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is LUGHJTHTZFKOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-19-12-17-10(13)16-11(18-12)15-7-6-8-2-4-9(14)5-3-8/h2-5H,6-7H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 282.71 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).