(2-hydroxy-2-phenylbutyl)azanium chloride

C10H16ClNO — CID 17830

IUPAC(2-hydroxy-2-phenylbutyl)azanium chloride
SMILESCCC(O)(C[NH3+])c1ccccc1.[Cl-]
InChIInChI=1S/C10H15NO.ClH/c1-2-10(12,8-11)9-6-4-3-5-7-9;/h3-7,12H,2,8,11H2,1H3;1H
InChIKeyCSFWNXJWAZDYSB-UHFFFAOYSA-N
MW201.70 g/mol
LogP-2.47
Rot. Bonds3

About (2-hydroxy-2-phenylbutyl)azanium chloride

(2-hydroxy-2-phenylbutyl)azanium chloride (PubChem CID 17830) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is (2-hydroxy-2-phenylbutyl)azanium chloride.

Molecular Properties

Compound Name(2-hydroxy-2-phenylbutyl)azanium chloride
PubChem CID17830
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name(2-hydroxy-2-phenylbutyl)azanium chloride
SMILESCCC(O)(C[NH3+])c1ccccc1.[Cl-]
InChIInChI=1S/C10H15NO.ClH/c1-2-10(12,8-11)9-6-4-3-5-7-9;/h3-7,12H,2,8,11H2,1H3;1H
InChIKeyCSFWNXJWAZDYSB-UHFFFAOYSA-N
XLogP-2.47
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 5-2.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenylbutyl)azanium chloride?
The IUPAC name of (2-hydroxy-2-phenylbutyl)azanium chloride (CID 17830) is (2-hydroxy-2-phenylbutyl)azanium chloride.
What is the SMILES notation for (2-hydroxy-2-phenylbutyl)azanium chloride?
The canonical SMILES for (2-hydroxy-2-phenylbutyl)azanium chloride is CCC(O)(C[NH3+])c1ccccc1.[Cl-].
What is the InChIKey of (2-hydroxy-2-phenylbutyl)azanium chloride?
The InChIKey is CSFWNXJWAZDYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-2-10(12,8-11)9-6-4-3-5-7-9;/h3-7,12H,2,8,11H2,1H3;1H.
What are the key properties of (2-hydroxy-2-phenylbutyl)azanium chloride?
(2-hydroxy-2-phenylbutyl)azanium chloride has a molecular weight of 201.70 g/mol, XLogP of -2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenylbutyl)azanium chloride is sourced from PubChem (CID 17830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).