4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine

C15H19ClN4O — CID 79755619

IUPAC4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCCc2ccccc2C)n1
InChIInChI=1S/C15H19ClN4O/c1-3-10-21-15-19-13(16)18-14(20-15)17-9-8-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,17,18,19,20)
InChIKeyXVFRGPPRLUAEGQ-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.28
Rot. Bonds7

About 4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 79755619) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID79755619
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCCc2ccccc2C)n1
InChIInChI=1S/C15H19ClN4O/c1-3-10-21-15-19-13(16)18-14(20-15)17-9-8-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,17,18,19,20)
InChIKeyXVFRGPPRLUAEGQ-UHFFFAOYSA-N
XLogP3.28
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine (CID 79755619) is 4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NCCc2ccccc2C)n1.
What is the InChIKey of 4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is XVFRGPPRLUAEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-3-10-21-15-19-13(16)18-14(20-15)17-9-8-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 306.80 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 79755619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).