chloroethane;N-methylmethanamine;hydrochloride

C4H13Cl2N — CID 22017076

IUPACchloroethane;N-methylmethanamine;hydrochloride
SMILESCCCl.CNC.Cl
InChIInChI=1S/C2H5Cl.C2H7N.ClH/c1-2-3;1-3-2;/h2H2,1H3;3H,1-2H3;1H
InChIKeyAQNSAMZOFZMCGD-UHFFFAOYSA-N
MW146.06 g/mol
LogP1.50
Rot. Bonds

About chloroethane;N-methylmethanamine;hydrochloride

chloroethane;N-methylmethanamine;hydrochloride (PubChem CID 22017076) has the molecular formula C4H13Cl2N and a molecular weight of 146.06 g/mol. Its IUPAC name is chloroethane;N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Namechloroethane;N-methylmethanamine;hydrochloride
PubChem CID22017076
Molecular FormulaC4H13Cl2N
Molecular Weight146.06 g/mol
Exact Mass145.04
IUPAC Namechloroethane;N-methylmethanamine;hydrochloride
SMILESCCCl.CNC.Cl
InChIInChI=1S/C2H5Cl.C2H7N.ClH/c1-2-3;1-3-2;/h2H2,1H3;3H,1-2H3;1H
InChIKeyAQNSAMZOFZMCGD-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.06
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 674
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Frequently Asked Questions

What is the IUPAC name of chloroethane;N-methylmethanamine;hydrochloride?
The IUPAC name of chloroethane;N-methylmethanamine;hydrochloride (CID 22017076) is chloroethane;N-methylmethanamine;hydrochloride.
What is the SMILES notation for chloroethane;N-methylmethanamine;hydrochloride?
The canonical SMILES for chloroethane;N-methylmethanamine;hydrochloride is CCCl.CNC.Cl.
What is the InChIKey of chloroethane;N-methylmethanamine;hydrochloride?
The InChIKey is AQNSAMZOFZMCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl.C2H7N.ClH/c1-2-3;1-3-2;/h2H2,1H3;3H,1-2H3;1H.
What are the key properties of chloroethane;N-methylmethanamine;hydrochloride?
chloroethane;N-methylmethanamine;hydrochloride has a molecular weight of 146.06 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;N-methylmethanamine;hydrochloride is sourced from PubChem (CID 22017076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).