4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C14H16Cl2N4O — CID 63549067

IUPAC4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16Cl2N4O/c1-9(2)21-14-19-12(16)18-13(20-14)17-8-7-10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,17,18,19,20)
InChIKeyGRWHLCBQWPHEHJ-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.62
Rot. Bonds6

About 4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 63549067) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID63549067
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16Cl2N4O/c1-9(2)21-14-19-12(16)18-13(20-14)17-8-7-10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,17,18,19,20)
InChIKeyGRWHLCBQWPHEHJ-UHFFFAOYSA-N
XLogP3.62
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-N-(3-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863715
4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863657
N-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 62869366
4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106038270
4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106197331
4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863973
4-chloro-N-hex-5-ynyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106214554
4-chloro-N-(3-methylsulfonylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863284
4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 82802523
N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine
CID 143652236
4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 55125282
4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 62857968

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 63549067) is 4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(Cl)nc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is GRWHLCBQWPHEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-9(2)21-14-19-12(16)18-13(20-14)17-8-7-10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 327.22 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 63549067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).