4-chloro-2-ethenyl-N,N-dimethylaniline

C10H12ClN — CID 143235220

IUPAC4-chloro-2-ethenyl-N,N-dimethylaniline
SMILESC=Cc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C10H12ClN/c1-4-8-7-9(11)5-6-10(8)12(2)3/h4-7H,1H2,2-3H3
InChIKeyMQIRPLIDHNYJNW-UHFFFAOYSA-N
MW181.67 g/mol
LogP3.05
Rot. Bonds2

About 4-chloro-2-ethenyl-N,N-dimethylaniline

4-chloro-2-ethenyl-N,N-dimethylaniline (PubChem CID 143235220) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 4-chloro-2-ethenyl-N,N-dimethylaniline.

Molecular Properties

Compound Name4-chloro-2-ethenyl-N,N-dimethylaniline
PubChem CID143235220
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name4-chloro-2-ethenyl-N,N-dimethylaniline
SMILESC=Cc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C10H12ClN/c1-4-8-7-9(11)5-6-10(8)12(2)3/h4-7H,1H2,2-3H3
InChIKeyMQIRPLIDHNYJNW-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethenyl-N,N-dimethylaniline?
The IUPAC name of 4-chloro-2-ethenyl-N,N-dimethylaniline (CID 143235220) is 4-chloro-2-ethenyl-N,N-dimethylaniline.
What is the SMILES notation for 4-chloro-2-ethenyl-N,N-dimethylaniline?
The canonical SMILES for 4-chloro-2-ethenyl-N,N-dimethylaniline is C=Cc1cc(Cl)ccc1N(C)C.
What is the InChIKey of 4-chloro-2-ethenyl-N,N-dimethylaniline?
The InChIKey is MQIRPLIDHNYJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-4-8-7-9(11)5-6-10(8)12(2)3/h4-7H,1H2,2-3H3.
What are the key properties of 4-chloro-2-ethenyl-N,N-dimethylaniline?
4-chloro-2-ethenyl-N,N-dimethylaniline has a molecular weight of 181.67 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethenyl-N,N-dimethylaniline is sourced from PubChem (CID 143235220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).