(2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride

C15H19Cl2N — CID 30251

IUPAC(2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride
SMILESCC(C)[NH2+]CC(Cl)c1ccc2ccccc2c1.[Cl-]
InChIInChI=1S/C15H18ClN.ClH/c1-11(2)17-10-15(16)14-8-7-12-5-3-4-6-13(12)9-14;/h3-9,11,15,17H,10H2,1-2H3;1H
InChIKeyJZZLKKRCFFAJGF-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.10
Rot. Bonds4

About (2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride

(2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride (PubChem CID 30251) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is (2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride.

Molecular Properties

Compound Name(2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride
PubChem CID30251
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name(2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride
SMILESCC(C)[NH2+]CC(Cl)c1ccc2ccccc2c1.[Cl-]
InChIInChI=1S/C15H18ClN.ClH/c1-11(2)17-10-15(16)14-8-7-12-5-3-4-6-13(12)9-14;/h3-9,11,15,17H,10H2,1-2H3;1H
InChIKeyJZZLKKRCFFAJGF-UHFFFAOYSA-N
XLogP0.10
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.10
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-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride?
The IUPAC name of (2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride (CID 30251) is (2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride.
What is the SMILES notation for (2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride?
The canonical SMILES for (2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride is CC(C)[NH2+]CC(Cl)c1ccc2ccccc2c1.[Cl-].
What is the InChIKey of (2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride?
The InChIKey is JZZLKKRCFFAJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN.ClH/c1-11(2)17-10-15(16)14-8-7-12-5-3-4-6-13(12)9-14;/h3-9,11,15,17H,10H2,1-2H3;1H.
What are the key properties of (2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride?
(2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride has a molecular weight of 284.23 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2-naphthalen-2-ylethyl)-propan-2-ylazanium chloride is sourced from PubChem (CID 30251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).