4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

C14H17ClN4O2 — CID 80875034

IUPAC4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Oc2cc(C)c(Cl)c(C)c2)n1
InChIInChI=1S/C14H17ClN4O2/c1-5-16-12-17-13(20-4)19-14(18-12)21-10-6-8(2)11(15)9(3)7-10/h6-7H,5H2,1-4H3,(H,16,17,18,19)
InChIKeyOKTFMCAXJWYMIG-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.37
Rot. Bonds5

About 4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80875034) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80875034
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Oc2cc(C)c(Cl)c(C)c2)n1
InChIInChI=1S/C14H17ClN4O2/c1-5-16-12-17-13(20-4)19-14(18-12)21-10-6-8(2)11(15)9(3)7-10/h6-7H,5H2,1-4H3,(H,16,17,18,19)
InChIKeyOKTFMCAXJWYMIG-UHFFFAOYSA-N
XLogP3.37
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-4-methoxy-6-(4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865175
4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80863984
4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870348
4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 107287620
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80879229
4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
CID 80874835
4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865878
4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 115504311
N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80879017
4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878172
N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine
CID 705411
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine
CID 80885688

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (CID 80875034) is 4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(Oc2cc(C)c(Cl)c(C)c2)n1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is OKTFMCAXJWYMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-5-16-12-17-13(20-4)19-14(18-12)21-10-6-8(2)11(15)9(3)7-10/h6-7H,5H2,1-4H3,(H,16,17,18,19).
What are the key properties of 4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 308.77 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80875034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).