5-chloro-2-ethyl-N-propylaniline

C11H16ClN — CID 145484900

IUPAC5-chloro-2-ethyl-N-propylaniline
SMILESCCCNc1cc(Cl)ccc1CC
InChIInChI=1S/C11H16ClN/c1-3-7-13-11-8-10(12)6-5-9(11)4-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyACPUTVGFWCJPNI-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.72
Rot. Bonds4

About 5-chloro-2-ethyl-N-propylaniline

5-chloro-2-ethyl-N-propylaniline (PubChem CID 145484900) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 5-chloro-2-ethyl-N-propylaniline.

Molecular Properties

Compound Name5-chloro-2-ethyl-N-propylaniline
PubChem CID145484900
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name5-chloro-2-ethyl-N-propylaniline
SMILESCCCNc1cc(Cl)ccc1CC
InChIInChI=1S/C11H16ClN/c1-3-7-13-11-8-10(12)6-5-9(11)4-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyACPUTVGFWCJPNI-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-N-propylaniline?
The IUPAC name of 5-chloro-2-ethyl-N-propylaniline (CID 145484900) is 5-chloro-2-ethyl-N-propylaniline.
What is the SMILES notation for 5-chloro-2-ethyl-N-propylaniline?
The canonical SMILES for 5-chloro-2-ethyl-N-propylaniline is CCCNc1cc(Cl)ccc1CC.
What is the InChIKey of 5-chloro-2-ethyl-N-propylaniline?
The InChIKey is ACPUTVGFWCJPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-3-7-13-11-8-10(12)6-5-9(11)4-2/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 5-chloro-2-ethyl-N-propylaniline?
5-chloro-2-ethyl-N-propylaniline has a molecular weight of 197.71 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-N-propylaniline is sourced from PubChem (CID 145484900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).