chloroethane;N-ethylethanamine;hydrochloride

C6H17Cl2N — CID 22709394

IUPACchloroethane;N-ethylethanamine;hydrochloride
SMILESCCCl.CCNCC.Cl
InChIInChI=1S/C4H11N.C2H5Cl.ClH/c1-3-5-4-2;1-2-3;/h5H,3-4H2,1-2H3;2H2,1H3;1H
InChIKeyVXCPBTJYRLIWRO-UHFFFAOYSA-N
MW174.11 g/mol
LogP2.28
Rot. Bonds2

About chloroethane;N-ethylethanamine;hydrochloride

chloroethane;N-ethylethanamine;hydrochloride (PubChem CID 22709394) has the molecular formula C6H17Cl2N and a molecular weight of 174.11 g/mol. Its IUPAC name is chloroethane;N-ethylethanamine;hydrochloride.

Molecular Properties

Compound Namechloroethane;N-ethylethanamine;hydrochloride
PubChem CID22709394
Molecular FormulaC6H17Cl2N
Molecular Weight174.11 g/mol
Exact Mass173.07
IUPAC Namechloroethane;N-ethylethanamine;hydrochloride
SMILESCCCl.CCNCC.Cl
InChIInChI=1S/C4H11N.C2H5Cl.ClH/c1-3-5-4-2;1-2-3;/h5H,3-4H2,1-2H3;2H2,1H3;1H
InChIKeyVXCPBTJYRLIWRO-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloroethane;N-ethylethanamine;hydrochloride?
The IUPAC name of chloroethane;N-ethylethanamine;hydrochloride (CID 22709394) is chloroethane;N-ethylethanamine;hydrochloride.
What is the SMILES notation for chloroethane;N-ethylethanamine;hydrochloride?
The canonical SMILES for chloroethane;N-ethylethanamine;hydrochloride is CCCl.CCNCC.Cl.
What is the InChIKey of chloroethane;N-ethylethanamine;hydrochloride?
The InChIKey is VXCPBTJYRLIWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2H5Cl.ClH/c1-3-5-4-2;1-2-3;/h5H,3-4H2,1-2H3;2H2,1H3;1H.
What are the key properties of chloroethane;N-ethylethanamine;hydrochloride?
chloroethane;N-ethylethanamine;hydrochloride has a molecular weight of 174.11 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;N-ethylethanamine;hydrochloride is sourced from PubChem (CID 22709394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).