4-chloro-N-ethyl-N-phenylaniline

C14H14ClN — CID 13289367

IUPAC4-chloro-N-ethyl-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN/c1-2-16(13-6-4-3-5-7-13)14-10-8-12(15)9-11-14/h3-11H,2H2,1H3
InChIKeyWTUKCEPGLIDVJR-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.50
Rot. Bonds3

About 4-chloro-N-ethyl-N-phenylaniline

4-chloro-N-ethyl-N-phenylaniline (PubChem CID 13289367) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-phenylaniline.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-phenylaniline
PubChem CID13289367
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name4-chloro-N-ethyl-N-phenylaniline
SMILESCCN(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN/c1-2-16(13-6-4-3-5-7-13)14-10-8-12(15)9-11-14/h3-11H,2H2,1H3
InChIKeyWTUKCEPGLIDVJR-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-phenylaniline?
The IUPAC name of 4-chloro-N-ethyl-N-phenylaniline (CID 13289367) is 4-chloro-N-ethyl-N-phenylaniline.
What is the SMILES notation for 4-chloro-N-ethyl-N-phenylaniline?
The canonical SMILES for 4-chloro-N-ethyl-N-phenylaniline is CCN(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-phenylaniline?
The InChIKey is WTUKCEPGLIDVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-2-16(13-6-4-3-5-7-13)14-10-8-12(15)9-11-14/h3-11H,2H2,1H3.
What are the key properties of 4-chloro-N-ethyl-N-phenylaniline?
4-chloro-N-ethyl-N-phenylaniline has a molecular weight of 231.73 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-phenylaniline is sourced from PubChem (CID 13289367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).