5-chloro-N-ethyl-2-phenylaniline

C14H14ClN — CID 156564170

IUPAC5-chloro-N-ethyl-2-phenylaniline
SMILESCCNc1cc(Cl)ccc1-c1ccccc1
InChIInChI=1S/C14H14ClN/c1-2-16-14-10-12(15)8-9-13(14)11-6-4-3-5-7-11/h3-10,16H,2H2,1H3
InChIKeyNPPSLJXQLFPAMA-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.44
Rot. Bonds3

About 5-chloro-N-ethyl-2-phenylaniline

5-chloro-N-ethyl-2-phenylaniline (PubChem CID 156564170) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-phenylaniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-phenylaniline
PubChem CID156564170
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name5-chloro-N-ethyl-2-phenylaniline
SMILESCCNc1cc(Cl)ccc1-c1ccccc1
InChIInChI=1S/C14H14ClN/c1-2-16-14-10-12(15)8-9-13(14)11-6-4-3-5-7-11/h3-10,16H,2H2,1H3
InChIKeyNPPSLJXQLFPAMA-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-phenylaniline?
The IUPAC name of 5-chloro-N-ethyl-2-phenylaniline (CID 156564170) is 5-chloro-N-ethyl-2-phenylaniline.
What is the SMILES notation for 5-chloro-N-ethyl-2-phenylaniline?
The canonical SMILES for 5-chloro-N-ethyl-2-phenylaniline is CCNc1cc(Cl)ccc1-c1ccccc1.
What is the InChIKey of 5-chloro-N-ethyl-2-phenylaniline?
The InChIKey is NPPSLJXQLFPAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-2-16-14-10-12(15)8-9-13(14)11-6-4-3-5-7-11/h3-10,16H,2H2,1H3.
What are the key properties of 5-chloro-N-ethyl-2-phenylaniline?
5-chloro-N-ethyl-2-phenylaniline has a molecular weight of 231.73 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-phenylaniline is sourced from PubChem (CID 156564170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).