4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine

C15H19ClN4O — CID 115492551

IUPAC4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCCCc1ccc(Oc2nc(Cl)nc(N(C)C)n2)cc1
InChIInChI=1S/C15H19ClN4O/c1-4-5-6-11-7-9-12(10-8-11)21-15-18-13(16)17-14(19-15)20(2)3/h7-10H,4-6H2,1-3H3
InChIKeyBNSBAKZFNUMPDX-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.73
Rot. Bonds6

About 4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine

4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 115492551) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID115492551
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCCCc1ccc(Oc2nc(Cl)nc(N(C)C)n2)cc1
InChIInChI=1S/C15H19ClN4O/c1-4-5-6-11-7-9-12(10-8-11)21-15-18-13(16)17-14(19-15)20(2)3/h7-10H,4-6H2,1-3H3
InChIKeyBNSBAKZFNUMPDX-UHFFFAOYSA-N
XLogP3.73
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62870135
2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115492564
4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63877958
2-(4-hexylphenoxy)-4,6-diphenoxy-1,3,5-triazine;2,4,6-tris(4-methoxyphenoxy)-1,3,5-triazine
CID 167563213
4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 62869628
4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65125002
2,4-dichloro-6-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenoxy]-1,3,5-triazine
CID 10341266
2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol
CID 107710379
4-(4-ethylphenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915253
4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine
CID 115492565
5-bromo-4-(4-butylphenoxy)-2-chloropyrimidine
CID 113322673
4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 104707062

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (CID 115492551) is 4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is CCCCc1ccc(Oc2nc(Cl)nc(N(C)C)n2)cc1.
What is the InChIKey of 4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is BNSBAKZFNUMPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-4-5-6-11-7-9-12(10-8-11)21-15-18-13(16)17-14(19-15)20(2)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 306.80 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 115492551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).