2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride

C15H19Cl2N — CID 14620

IUPAC2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride
SMILESCC[NH+](CCCl)Cc1ccc2ccccc2c1.[Cl-]
InChIInChI=1S/C15H18ClN.ClH/c1-2-17(10-9-16)12-13-7-8-14-5-3-4-6-15(14)11-13;/h3-8,11H,2,9-10,12H2,1H3;1H
InChIKeyZVOYNGMJHXFENC-UHFFFAOYSA-N
MW284.23 g/mol
LogP-0.51
Rot. Bonds5

About 2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride

2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride (PubChem CID 14620) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride.

Molecular Properties

Compound Name2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride
PubChem CID14620
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride
SMILESCC[NH+](CCCl)Cc1ccc2ccccc2c1.[Cl-]
InChIInChI=1S/C15H18ClN.ClH/c1-2-17(10-9-16)12-13-7-8-14-5-3-4-6-15(14)11-13;/h3-8,11H,2,9-10,12H2,1H3;1H
InChIKeyZVOYNGMJHXFENC-UHFFFAOYSA-N
XLogP-0.51
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride?
The IUPAC name of 2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride (CID 14620) is 2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride.
What is the SMILES notation for 2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride?
The canonical SMILES for 2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride is CC[NH+](CCCl)Cc1ccc2ccccc2c1.[Cl-].
What is the InChIKey of 2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride?
The InChIKey is ZVOYNGMJHXFENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN.ClH/c1-2-17(10-9-16)12-13-7-8-14-5-3-4-6-15(14)11-13;/h3-8,11H,2,9-10,12H2,1H3;1H.
What are the key properties of 2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride?
2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride has a molecular weight of 284.23 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-ethyl-(naphthalen-2-ylmethyl)azanium chloride is sourced from PubChem (CID 14620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).