5-chloro-N-ethenyl-2-methylaniline

C9H10ClN — CID 138749443

IUPAC5-chloro-N-ethenyl-2-methylaniline
SMILESC=CNc1cc(Cl)ccc1C
InChIInChI=1S/C9H10ClN/c1-3-11-9-6-8(10)5-4-7(9)2/h3-6,11H,1H2,2H3
InChIKeyGJMLOGYSGXOJQX-UHFFFAOYSA-N
MW167.64 g/mol
LogP3.20
Rot. Bonds2

About 5-chloro-N-ethenyl-2-methylaniline

5-chloro-N-ethenyl-2-methylaniline (PubChem CID 138749443) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 5-chloro-N-ethenyl-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-ethenyl-2-methylaniline
PubChem CID138749443
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name5-chloro-N-ethenyl-2-methylaniline
SMILESC=CNc1cc(Cl)ccc1C
InChIInChI=1S/C9H10ClN/c1-3-11-9-6-8(10)5-4-7(9)2/h3-6,11H,1H2,2H3
InChIKeyGJMLOGYSGXOJQX-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethenyl-2-methylaniline?
The IUPAC name of 5-chloro-N-ethenyl-2-methylaniline (CID 138749443) is 5-chloro-N-ethenyl-2-methylaniline.
What is the SMILES notation for 5-chloro-N-ethenyl-2-methylaniline?
The canonical SMILES for 5-chloro-N-ethenyl-2-methylaniline is C=CNc1cc(Cl)ccc1C.
What is the InChIKey of 5-chloro-N-ethenyl-2-methylaniline?
The InChIKey is GJMLOGYSGXOJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c1-3-11-9-6-8(10)5-4-7(9)2/h3-6,11H,1H2,2H3.
What are the key properties of 5-chloro-N-ethenyl-2-methylaniline?
5-chloro-N-ethenyl-2-methylaniline has a molecular weight of 167.64 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethenyl-2-methylaniline is sourced from PubChem (CID 138749443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).