2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine

C13H15FN4 — CID 82479364

IUPAC2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine
SMILESCc1nc(CCN)nc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4/c1-9-16-12(6-7-15)18-13(17-9)8-10-2-4-11(14)5-3-10/h2-5H,6-8,15H2,1H3
InChIKeyUXUVCIPDLQVCPD-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.41
Rot. Bonds4

About 2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine

2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine (PubChem CID 82479364) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine
PubChem CID82479364
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine
SMILESCc1nc(CCN)nc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4/c1-9-16-12(6-7-15)18-13(17-9)8-10-2-4-11(14)5-3-10/h2-5H,6-8,15H2,1H3
InChIKeyUXUVCIPDLQVCPD-UHFFFAOYSA-N
XLogP1.41
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methyl-6-(2-phenylethyl)-1,3,5-triazin-2-yl]ethanamine
CID 96662102
5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline
CID 82479383
4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 63869112
2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82472579
4,6-dichloro-2-[(4-fluorophenyl)methyl]-5-propylpyrimidine
CID 63611318
1-[2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744269
2-benzyl-4,6-dimethyl-1,3,5-triazine
CID 118594943
2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 62745063
2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine
CID 82305556
N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine
CID 66878742
5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62191963
2-[4-(4-bromophenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82489865

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine (CID 82479364) is 2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine is Cc1nc(CCN)nc(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The InChIKey is UXUVCIPDLQVCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-9-16-12(6-7-15)18-13(17-9)8-10-2-4-11(14)5-3-10/h2-5H,6-8,15H2,1H3.
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine?
2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine has a molecular weight of 246.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine is sourced from PubChem (CID 82479364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).