N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine

C11H11ClN4 — CID 163211624

IUPACN-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine
SMILESCCc1ccc(Nc2ncncn2)c(Cl)c1
InChIInChI=1S/C11H11ClN4/c1-2-8-3-4-10(9(12)5-8)16-11-14-6-13-7-15-11/h3-7H,2H2,1H3,(H,13,14,15,16)
InChIKeyYNCWTYHMMGQTEP-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.83
Rot. Bonds3

About N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine

N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine (PubChem CID 163211624) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine
PubChem CID163211624
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC NameN-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine
SMILESCCc1ccc(Nc2ncncn2)c(Cl)c1
InChIInChI=1S/C11H11ClN4/c1-2-8-3-4-10(9(12)5-8)16-11-14-6-13-7-15-11/h3-7H,2H2,1H3,(H,13,14,15,16)
InChIKeyYNCWTYHMMGQTEP-UHFFFAOYSA-N
XLogP2.83
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 174464470
2-chloro-4-ethyl-1-(sulfinatoamino)benzene
CID 57300264
5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine
CID 55252301
2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine
CID 106889893
N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine
CID 145284876
2-chloro-4-ethyl-1-methylbenzene;ethane;methane
CID 142172309
2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267339
4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline
CID 70952158
1,2-dichloro-4-ethylbenzene;1,3-dichloro-2-ethylbenzene;methane
CID 158320021
N-[(2-chloro-4-ethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine
CID 91188969
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
CID 63735620
N-(2-chloro-4-iodophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 107604941

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine (CID 163211624) is N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine is CCc1ccc(Nc2ncncn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is YNCWTYHMMGQTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-2-8-3-4-10(9(12)5-8)16-11-14-6-13-7-15-11/h3-7H,2H2,1H3,(H,13,14,15,16).
What are the key properties of N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine?
N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 234.69 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 163211624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).