2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline

C15H13Cl4N — CID 66252833

IUPAC2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
SMILESCc1cccc(Cl)c1NC(C)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H13Cl4N/c1-8-4-3-5-12(17)15(8)20-9(2)10-6-7-11(16)14(19)13(10)18/h3-7,9,20H,1-2H3
InChIKeyMEPRXBDXWOASPM-UHFFFAOYSA-N
MW349.09 g/mol
LogP6.78
Rot. Bonds3

About 2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline

2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline (PubChem CID 66252833) has the molecular formula C15H13Cl4N and a molecular weight of 349.09 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
PubChem CID66252833
Molecular FormulaC15H13Cl4N
Molecular Weight349.09 g/mol
Exact Mass346.98
IUPAC Name2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
SMILESCc1cccc(Cl)c1NC(C)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H13Cl4N/c1-8-4-3-5-12(17)15(8)20-9(2)10-6-7-11(16)14(19)13(10)18/h3-7,9,20H,1-2H3
InChIKeyMEPRXBDXWOASPM-UHFFFAOYSA-N
XLogP6.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.09
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline?
The IUPAC name of 2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline (CID 66252833) is 2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline.
What is the SMILES notation for 2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline?
The canonical SMILES for 2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline is Cc1cccc(Cl)c1NC(C)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline?
The InChIKey is MEPRXBDXWOASPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl4N/c1-8-4-3-5-12(17)15(8)20-9(2)10-6-7-11(16)14(19)13(10)18/h3-7,9,20H,1-2H3.
What are the key properties of 2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline?
2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline has a molecular weight of 349.09 g/mol, XLogP of 6.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline is sourced from PubChem (CID 66252833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).