6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C17H15ClFN5O — CID 7998766

IUPAC6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(COc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C17H15ClFN5O/c1-10-4-2-3-5-14(10)21-17-23-15(22-16(20)24-17)9-25-11-6-7-13(19)12(18)8-11/h2-8H,9H2,1H3,(H3,20,21,22,23,24)
InChIKeyIIHNRHWMGGGBCH-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.88
Rot. Bonds5

About 6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 7998766) has the molecular formula C17H15ClFN5O and a molecular weight of 359.79 g/mol. Its IUPAC name is 6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID7998766
Molecular FormulaC17H15ClFN5O
Molecular Weight359.79 g/mol
Exact Mass359.09
IUPAC Name6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(COc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C17H15ClFN5O/c1-10-4-2-3-5-14(10)21-17-23-15(22-16(20)24-17)9-25-11-6-7-13(19)12(18)8-11/h2-8H,9H2,1H3,(H3,20,21,22,23,24)
InChIKeyIIHNRHWMGGGBCH-UHFFFAOYSA-N
XLogP3.88
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-Chloro-2-ethoxy-phenyl)-N-(4-chloro-phenyl)-[1,3,5]triazine-2,4-diamine
CID 10110036
N-(2,3-dimethylphenyl)-6-[(4-methoxyphenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 1615590
6-[(4-methoxyphenoxy)methyl]-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 714743
4-[[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile
CID 2461457
4-[(4-chlorophenoxy)methyl]-6-imino-N-(p-tolyl)-1H-1,3,5-triazin-2-amine
CID 8357886
N-(4-chlorophenyl)-4-methyl-6-phenoxy-1,3,5-triazin-2-amine
CID 172434217
4-[1-(3,5-dichlorophenoxy)propyl]-6-(4-methylpiperazin-1-yl)-N-phenyl-1,3,5-triazin-2-amine
CID 177372250
4-[1-(3,5-dichlorophenoxy)pentyl]-6-(4-methylpiperazin-1-yl)-N-phenyl-1,3,5-triazin-2-amine
CID 177372252
4-N-(3-chloro-4-fluorophenyl)-6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 45277359
2-[[4-Amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methoxy]benzonitrile
CID 8007250
2-N-(2-ethylphenyl)-6-[(2-fluorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 4785413
6-[(4-fluorophenoxy)methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 8357890

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 7998766) is 6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccccc1Nc1nc(N)nc(COc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IIHNRHWMGGGBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O/c1-10-4-2-3-5-14(10)21-17-23-15(22-16(20)24-17)9-25-11-6-7-13(19)12(18)8-11/h2-8H,9H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 359.79 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-4-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 7998766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).