2,6-dichloro-N-cyclopropyl-N-methylaniline

C10H11Cl2N — CID 54252168

IUPAC2,6-dichloro-N-cyclopropyl-N-methylaniline
SMILESCN(c1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C10H11Cl2N/c1-13(7-5-6-7)10-8(11)3-2-4-9(10)12/h2-4,7H,5-6H2,1H3
InChIKeyQXNJHMALLZPPQM-UHFFFAOYSA-N
MW216.11 g/mol
LogP3.59
Rot. Bonds2

About 2,6-dichloro-N-cyclopropyl-N-methylaniline

2,6-dichloro-N-cyclopropyl-N-methylaniline (PubChem CID 54252168) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 2,6-dichloro-N-cyclopropyl-N-methylaniline.

Molecular Properties

Compound Name2,6-dichloro-N-cyclopropyl-N-methylaniline
PubChem CID54252168
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name2,6-dichloro-N-cyclopropyl-N-methylaniline
SMILESCN(c1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C10H11Cl2N/c1-13(7-5-6-7)10-8(11)3-2-4-9(10)12/h2-4,7H,5-6H2,1H3
InChIKeyQXNJHMALLZPPQM-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-cyclopropyl-N-methylaniline?
The IUPAC name of 2,6-dichloro-N-cyclopropyl-N-methylaniline (CID 54252168) is 2,6-dichloro-N-cyclopropyl-N-methylaniline.
What is the SMILES notation for 2,6-dichloro-N-cyclopropyl-N-methylaniline?
The canonical SMILES for 2,6-dichloro-N-cyclopropyl-N-methylaniline is CN(c1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of 2,6-dichloro-N-cyclopropyl-N-methylaniline?
The InChIKey is QXNJHMALLZPPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c1-13(7-5-6-7)10-8(11)3-2-4-9(10)12/h2-4,7H,5-6H2,1H3.
What are the key properties of 2,6-dichloro-N-cyclopropyl-N-methylaniline?
2,6-dichloro-N-cyclopropyl-N-methylaniline has a molecular weight of 216.11 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-cyclopropyl-N-methylaniline is sourced from PubChem (CID 54252168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).