2-chloro-N-ethylaniline;hydrochloride

C8H11Cl2N — CID 91662945

IUPAC2-chloro-N-ethylaniline;hydrochloride
SMILESCCNc1ccccc1Cl.Cl
InChIInChI=1S/C8H10ClN.ClH/c1-2-10-8-6-4-3-5-7(8)9;/h3-6,10H,2H2,1H3;1H
InChIKeyDWMQXLFZOYYTQS-UHFFFAOYSA-N
MW192.09 g/mol
LogP3.19
Rot. Bonds2

About 2-chloro-N-ethylaniline;hydrochloride

2-chloro-N-ethylaniline;hydrochloride (PubChem CID 91662945) has the molecular formula C8H11Cl2N and a molecular weight of 192.09 g/mol. Its IUPAC name is 2-chloro-N-ethylaniline;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-ethylaniline;hydrochloride
PubChem CID91662945
Molecular FormulaC8H11Cl2N
Molecular Weight192.09 g/mol
Exact Mass191.03
IUPAC Name2-chloro-N-ethylaniline;hydrochloride
SMILESCCNc1ccccc1Cl.Cl
InChIInChI=1S/C8H10ClN.ClH/c1-2-10-8-6-4-3-5-7(8)9;/h3-6,10H,2H2,1H3;1H
InChIKeyDWMQXLFZOYYTQS-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethylaniline;hydrochloride?
The IUPAC name of 2-chloro-N-ethylaniline;hydrochloride (CID 91662945) is 2-chloro-N-ethylaniline;hydrochloride.
What is the SMILES notation for 2-chloro-N-ethylaniline;hydrochloride?
The canonical SMILES for 2-chloro-N-ethylaniline;hydrochloride is CCNc1ccccc1Cl.Cl.
What is the InChIKey of 2-chloro-N-ethylaniline;hydrochloride?
The InChIKey is DWMQXLFZOYYTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN.ClH/c1-2-10-8-6-4-3-5-7(8)9;/h3-6,10H,2H2,1H3;1H.
What are the key properties of 2-chloro-N-ethylaniline;hydrochloride?
2-chloro-N-ethylaniline;hydrochloride has a molecular weight of 192.09 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethylaniline;hydrochloride is sourced from PubChem (CID 91662945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).