2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride

C5H12Cl3N — CID 53350389

IUPAC2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride
SMILESCN(CCCl)CCCl.[Cl-].[H+]
InChIInChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H
InChIKeyQZIQJVCYUQZDIR-UHFFFAOYSA-N
MW192.52 g/mol
LogP-1.49
Rot. Bonds4

About 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride

2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride (PubChem CID 53350389) has the molecular formula C5H12Cl3N and a molecular weight of 192.52 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride
PubChem CID53350389
Molecular FormulaC5H12Cl3N
Molecular Weight192.52 g/mol
Exact Mass191.00
IUPAC Name2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride
SMILESCN(CCCl)CCCl.[Cl-].[H+]
InChIInChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H
InChIKeyQZIQJVCYUQZDIR-UHFFFAOYSA-N
XLogP-1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.52
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
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 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride (CID 53350389) is 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride is CN(CCCl)CCCl.[Cl-].[H+].
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride?
The InChIKey is QZIQJVCYUQZDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride?
2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride has a molecular weight of 192.52 g/mol, XLogP of -1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride is sourced from PubChem (CID 53350389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).