4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine

C13H15ClN4O — CID 98022071

IUPAC4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCCOc1cc(C)c(-c2nc(C)nc(N)n2)cc1Cl
InChIInChI=1S/C13H15ClN4O/c1-4-19-11-5-7(2)9(6-10(11)14)12-16-8(3)17-13(15)18-12/h5-6H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeySIGGGIODVVNHPZ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.79
Rot. Bonds3

About 4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine

4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine (PubChem CID 98022071) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
PubChem CID98022071
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCCOc1cc(C)c(-c2nc(C)nc(N)n2)cc1Cl
InChIInChI=1S/C13H15ClN4O/c1-4-19-11-5-7(2)9(6-10(11)14)12-16-8(3)17-13(15)18-12/h5-6H,4H2,1-3H3,(H2,15,16,17,18)
InChIKeySIGGGIODVVNHPZ-UHFFFAOYSA-N
XLogP2.79
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine
CID 82303511
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 96668566
5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 82481596
3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82486859
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 82478513
2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-4-chloro-2-ethylphenoxy]acetonitrile
CID 143586283
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82487457
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82304282
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
4-(2-methoxy-4-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 106793544
5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine (CID 98022071) is 4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine is CCOc1cc(C)c(-c2nc(C)nc(N)n2)cc1Cl.
What is the InChIKey of 4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is SIGGGIODVVNHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-4-19-11-5-7(2)9(6-10(11)14)12-16-8(3)17-13(15)18-12/h5-6H,4H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine?
4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 278.74 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 98022071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).