2,4,6-trichloro-N-cyclobutylaniline

C10H10Cl3N — CID 63425611

IUPAC2,4,6-trichloro-N-cyclobutylaniline
SMILESClc1cc(Cl)c(NC2CCC2)c(Cl)c1
InChIInChI=1S/C10H10Cl3N/c11-6-4-8(12)10(9(13)5-6)14-7-2-1-3-7/h4-5,7,14H,1-3H2
InChIKeyWPPJBDRRBVQLLR-UHFFFAOYSA-N
MW250.56 g/mol
LogP4.61
Rot. Bonds2

About 2,4,6-trichloro-N-cyclobutylaniline

2,4,6-trichloro-N-cyclobutylaniline (PubChem CID 63425611) has the molecular formula C10H10Cl3N and a molecular weight of 250.56 g/mol. Its IUPAC name is 2,4,6-trichloro-N-cyclobutylaniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-cyclobutylaniline
PubChem CID63425611
Molecular FormulaC10H10Cl3N
Molecular Weight250.56 g/mol
Exact Mass248.99
IUPAC Name2,4,6-trichloro-N-cyclobutylaniline
SMILESClc1cc(Cl)c(NC2CCC2)c(Cl)c1
InChIInChI=1S/C10H10Cl3N/c11-6-4-8(12)10(9(13)5-6)14-7-2-1-3-7/h4-5,7,14H,1-3H2
InChIKeyWPPJBDRRBVQLLR-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.56
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-cyclobutylaniline?
The IUPAC name of 2,4,6-trichloro-N-cyclobutylaniline (CID 63425611) is 2,4,6-trichloro-N-cyclobutylaniline.
What is the SMILES notation for 2,4,6-trichloro-N-cyclobutylaniline?
The canonical SMILES for 2,4,6-trichloro-N-cyclobutylaniline is Clc1cc(Cl)c(NC2CCC2)c(Cl)c1.
What is the InChIKey of 2,4,6-trichloro-N-cyclobutylaniline?
The InChIKey is WPPJBDRRBVQLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3N/c11-6-4-8(12)10(9(13)5-6)14-7-2-1-3-7/h4-5,7,14H,1-3H2.
What are the key properties of 2,4,6-trichloro-N-cyclobutylaniline?
2,4,6-trichloro-N-cyclobutylaniline has a molecular weight of 250.56 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-cyclobutylaniline is sourced from PubChem (CID 63425611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).