N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine

C14H17FN4O3 — CID 71871490

IUPACN-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(OC)nc(N(C)CCOc2ccccc2F)n1
InChIInChI=1S/C14H17FN4O3/c1-19(8-9-22-11-7-5-4-6-10(11)15)12-16-13(20-2)18-14(17-12)21-3/h4-7H,8-9H2,1-3H3
InChIKeyCYZHNSVYABFKQE-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.54
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine

N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 71871490) has the molecular formula C14H17FN4O3 and a molecular weight of 308.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID71871490
Molecular FormulaC14H17FN4O3
Molecular Weight308.31 g/mol
Exact Mass308.13
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(OC)nc(N(C)CCOc2ccccc2F)n1
InChIInChI=1S/C14H17FN4O3/c1-19(8-9-22-11-7-5-4-6-10(11)15)12-16-13(20-2)18-14(17-12)21-3/h4-7H,8-9H2,1-3H3
InChIKeyCYZHNSVYABFKQE-UHFFFAOYSA-N
XLogP1.54
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N'-[2-(2-fluorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62686273
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
CID 78791127
5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile
CID 133294688
6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride
CID 45054366
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CID 126779509
tert-butyl-[2-(2-fluorophenoxy)ethyl]azanium
CID 2263120
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095873
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
CID 2935506
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine
CID 66184304
4-(2-fluorophenoxy)butan-2-one
CID 28948853
1-fluoro-2-(2-iodoethoxy)benzene
CID 64787952
[3-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976549

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine (CID 71871490) is N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine is COc1nc(OC)nc(N(C)CCOc2ccccc2F)n1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is CYZHNSVYABFKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O3/c1-19(8-9-22-11-7-5-4-6-10(11)15)12-16-13(20-2)18-14(17-12)21-3/h4-7H,8-9H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine?
N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 308.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 71871490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).