4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine

C14H16Cl2N4O — CID 62870466

IUPAC4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(OCc2ccccc2Cl)n1
InChIInChI=1S/C14H16Cl2N4O/c1-3-20(4-2)13-17-12(16)18-14(19-13)21-9-10-7-5-6-8-11(10)15/h5-8H,3-4,9H2,1-2H3
InChIKeyCOHOCWFIYQVKDN-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.60
Rot. Bonds6

About 4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine

4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine (PubChem CID 62870466) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine
PubChem CID62870466
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(OCc2ccccc2Cl)n1
InChIInChI=1S/C14H16Cl2N4O/c1-3-20(4-2)13-17-12(16)18-14(19-13)21-9-10-7-5-6-8-11(10)15/h5-8H,3-4,9H2,1-2H3
InChIKeyCOHOCWFIYQVKDN-UHFFFAOYSA-N
XLogP3.60
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine (CID 62870466) is 4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(OCc2ccccc2Cl)n1.
What is the InChIKey of 4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine?
The InChIKey is COHOCWFIYQVKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-3-20(4-2)13-17-12(16)18-14(19-13)21-9-10-7-5-6-8-11(10)15/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine?
4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine has a molecular weight of 327.22 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).