2-chloro-N,N-diethylaniline

C10H14ClN — CID 597798

IUPAC2-chloro-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1Cl
InChIInChI=1S/C10H14ClN/c1-3-12(4-2)10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3
InChIKeyOQRCDIPTOADXMP-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.19
Rot. Bonds3

About 2-chloro-N,N-diethylaniline

2-chloro-N,N-diethylaniline (PubChem CID 597798) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-chloro-N,N-diethylaniline.

Molecular Properties

Compound Name2-chloro-N,N-diethylaniline
PubChem CID597798
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-chloro-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1Cl
InChIInChI=1S/C10H14ClN/c1-3-12(4-2)10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3
InChIKeyOQRCDIPTOADXMP-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethylaniline?
The IUPAC name of 2-chloro-N,N-diethylaniline (CID 597798) is 2-chloro-N,N-diethylaniline.
What is the SMILES notation for 2-chloro-N,N-diethylaniline?
The canonical SMILES for 2-chloro-N,N-diethylaniline is CCN(CC)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N,N-diethylaniline?
The InChIKey is OQRCDIPTOADXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-3-12(4-2)10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethylaniline?
2-chloro-N,N-diethylaniline has a molecular weight of 183.68 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethylaniline is sourced from PubChem (CID 597798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).