N-(2,5-dichlorophenyl)-2,4,6-trimethylaniline

C15H15Cl2N — CID 71562078

IUPACN-(2,5-dichlorophenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2cc(Cl)ccc2Cl)c(C)c1
InChIInChI=1S/C15H15Cl2N/c1-9-6-10(2)15(11(3)7-9)18-14-8-12(16)4-5-13(14)17/h4-8,18H,1-3H3
InChIKeyHEDIQQHCASCXJF-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.66
Rot. Bonds2

About N-(2,5-dichlorophenyl)-2,4,6-trimethylaniline

N-(2,5-dichlorophenyl)-2,4,6-trimethylaniline (PubChem CID 71562078) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2,4,6-trimethylaniline
PubChem CID71562078
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC NameN-(2,5-dichlorophenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2cc(Cl)ccc2Cl)c(C)c1
InChIInChI=1S/C15H15Cl2N/c1-9-6-10(2)15(11(3)7-9)18-14-8-12(16)4-5-13(14)17/h4-8,18H,1-3H3
InChIKeyHEDIQQHCASCXJF-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2,4,6-trimethylaniline?
The IUPAC name of N-(2,5-dichlorophenyl)-2,4,6-trimethylaniline (CID 71562078) is N-(2,5-dichlorophenyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2,4,6-trimethylaniline?
The canonical SMILES for N-(2,5-dichlorophenyl)-2,4,6-trimethylaniline is Cc1cc(C)c(Nc2cc(Cl)ccc2Cl)c(C)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2,4,6-trimethylaniline?
The InChIKey is HEDIQQHCASCXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-9-6-10(2)15(11(3)7-9)18-14-8-12(16)4-5-13(14)17/h4-8,18H,1-3H3.
What are the key properties of N-(2,5-dichlorophenyl)-2,4,6-trimethylaniline?
N-(2,5-dichlorophenyl)-2,4,6-trimethylaniline has a molecular weight of 280.20 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 71562078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).