2,6-dichloro-N-(2-propylphenyl)aniline

C15H15Cl2N — CID 11108716

IUPAC2,6-dichloro-N-(2-propylphenyl)aniline
SMILESCCCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H15Cl2N/c1-2-6-11-7-3-4-10-14(11)18-15-12(16)8-5-9-13(15)17/h3-5,7-10,18H,2,6H2,1H3
InChIKeyNJQHNEBNHVPZAF-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.69
Rot. Bonds4

About 2,6-dichloro-N-(2-propylphenyl)aniline

2,6-dichloro-N-(2-propylphenyl)aniline (PubChem CID 11108716) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-propylphenyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(2-propylphenyl)aniline
PubChem CID11108716
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name2,6-dichloro-N-(2-propylphenyl)aniline
SMILESCCCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H15Cl2N/c1-2-6-11-7-3-4-10-14(11)18-15-12(16)8-5-9-13(15)17/h3-5,7-10,18H,2,6H2,1H3
InChIKeyNJQHNEBNHVPZAF-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-propylphenyl)aniline?
The IUPAC name of 2,6-dichloro-N-(2-propylphenyl)aniline (CID 11108716) is 2,6-dichloro-N-(2-propylphenyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(2-propylphenyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(2-propylphenyl)aniline is CCCc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-propylphenyl)aniline?
The InChIKey is NJQHNEBNHVPZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-2-6-11-7-3-4-10-14(11)18-15-12(16)8-5-9-13(15)17/h3-5,7-10,18H,2,6H2,1H3.
What are the key properties of 2,6-dichloro-N-(2-propylphenyl)aniline?
2,6-dichloro-N-(2-propylphenyl)aniline has a molecular weight of 280.20 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-propylphenyl)aniline is sourced from PubChem (CID 11108716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).