3,5-dichloro-N,N-dimethylaniline

C8H9Cl2N — CID 643223

IUPAC3,5-dichloro-N,N-dimethylaniline
SMILESCN(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H9Cl2N/c1-11(2)8-4-6(9)3-7(10)5-8/h3-5H,1-2H3
InChIKeyYJCNUSPWDQIVAI-UHFFFAOYSA-N
MW190.07 g/mol
LogP3.06
Rot. Bonds1

About 3,5-dichloro-N,N-dimethylaniline

3,5-dichloro-N,N-dimethylaniline (PubChem CID 643223) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is 3,5-dichloro-N,N-dimethylaniline.

Molecular Properties

Compound Name3,5-dichloro-N,N-dimethylaniline
PubChem CID643223
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name3,5-dichloro-N,N-dimethylaniline
SMILESCN(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H9Cl2N/c1-11(2)8-4-6(9)3-7(10)5-8/h3-5H,1-2H3
InChIKeyYJCNUSPWDQIVAI-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N,N-dimethylaniline?
The IUPAC name of 3,5-dichloro-N,N-dimethylaniline (CID 643223) is 3,5-dichloro-N,N-dimethylaniline.
What is the SMILES notation for 3,5-dichloro-N,N-dimethylaniline?
The canonical SMILES for 3,5-dichloro-N,N-dimethylaniline is CN(C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N,N-dimethylaniline?
The InChIKey is YJCNUSPWDQIVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N/c1-11(2)8-4-6(9)3-7(10)5-8/h3-5H,1-2H3.
What are the key properties of 3,5-dichloro-N,N-dimethylaniline?
3,5-dichloro-N,N-dimethylaniline has a molecular weight of 190.07 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N,N-dimethylaniline is sourced from PubChem (CID 643223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).