4-chloro-N-ethylaniline

C8H10ClN — CID 587841

IUPAC4-chloro-N-ethylaniline
SMILESCCNc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
InChIKeyKLWDPIXDUVYHMS-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.77
Rot. Bonds2

About 4-chloro-N-ethylaniline

4-chloro-N-ethylaniline (PubChem CID 587841) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 4-chloro-N-ethylaniline.

Molecular Properties

Compound Name4-chloro-N-ethylaniline
PubChem CID587841
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name4-chloro-N-ethylaniline
SMILESCCNc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
InChIKeyKLWDPIXDUVYHMS-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethylaniline?
The IUPAC name of 4-chloro-N-ethylaniline (CID 587841) is 4-chloro-N-ethylaniline.
What is the SMILES notation for 4-chloro-N-ethylaniline?
The canonical SMILES for 4-chloro-N-ethylaniline is CCNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethylaniline?
The InChIKey is KLWDPIXDUVYHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3.
What are the key properties of 4-chloro-N-ethylaniline?
4-chloro-N-ethylaniline has a molecular weight of 155.63 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethylaniline is sourced from PubChem (CID 587841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).