[(2R)-3-chloro-2-hydroxypropyl]-diethylazanium

C7H17ClNO+ — CID 7335612

IUPAC[(2R)-3-chloro-2-hydroxypropyl]-diethylazanium
SMILESCC[NH+](CC)C[C@@H](O)CCl
InChIInChI=1S/C7H16ClNO/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-6H2,1-2H3/p+1/t7-/m0/s1
InChIKeyINWIZUCMCGANRE-ZETCQYMHSA-O
MW166.67 g/mol
LogP-0.49
Rot. Bonds5

About [(2R)-3-chloro-2-hydroxypropyl]-diethylazanium

[(2R)-3-chloro-2-hydroxypropyl]-diethylazanium (PubChem CID 7335612) has the molecular formula C7H17ClNO+ and a molecular weight of 166.67 g/mol. Its IUPAC name is [(2R)-3-chloro-2-hydroxypropyl]-diethylazanium.

Molecular Properties

Compound Name[(2R)-3-chloro-2-hydroxypropyl]-diethylazanium
PubChem CID7335612
Molecular FormulaC7H17ClNO+
Molecular Weight166.67 g/mol
Exact Mass166.10
IUPAC Name[(2R)-3-chloro-2-hydroxypropyl]-diethylazanium
SMILESCC[NH+](CC)C[C@@H](O)CCl
InChIInChI=1S/C7H16ClNO/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-6H2,1-2H3/p+1/t7-/m0/s1
InChIKeyINWIZUCMCGANRE-ZETCQYMHSA-O
XLogP-0.49
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.67
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
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 [(2R)-3-chloro-2-hydroxypropyl]-diethylazanium?
The IUPAC name of [(2R)-3-chloro-2-hydroxypropyl]-diethylazanium (CID 7335612) is [(2R)-3-chloro-2-hydroxypropyl]-diethylazanium.
What is the SMILES notation for [(2R)-3-chloro-2-hydroxypropyl]-diethylazanium?
The canonical SMILES for [(2R)-3-chloro-2-hydroxypropyl]-diethylazanium is CC[NH+](CC)C[C@@H](O)CCl.
What is the InChIKey of [(2R)-3-chloro-2-hydroxypropyl]-diethylazanium?
The InChIKey is INWIZUCMCGANRE-ZETCQYMHSA-O. The full InChI is InChI=1S/C7H16ClNO/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-6H2,1-2H3/p+1/t7-/m0/s1.
What are the key properties of [(2R)-3-chloro-2-hydroxypropyl]-diethylazanium?
[(2R)-3-chloro-2-hydroxypropyl]-diethylazanium has a molecular weight of 166.67 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-chloro-2-hydroxypropyl]-diethylazanium is sourced from PubChem (CID 7335612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).