(1-hydroxy-1-phenylbutan-2-yl)azanium chloride

C10H16ClNO — CID 22553

IUPAC(1-hydroxy-1-phenylbutan-2-yl)azanium chloride
SMILESCCC([NH3+])C(O)c1ccccc1.[Cl-]
InChIInChI=1S/C10H15NO.ClH/c1-2-9(11)10(12)8-6-4-3-5-7-8;/h3-7,9-10,12H,2,11H2,1H3;1H
InChIKeyFZGAXGPIOLWEAX-UHFFFAOYSA-N
MW201.70 g/mol
LogP-2.26
Rot. Bonds3

About (1-hydroxy-1-phenylbutan-2-yl)azanium chloride

(1-hydroxy-1-phenylbutan-2-yl)azanium chloride (PubChem CID 22553) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is (1-hydroxy-1-phenylbutan-2-yl)azanium chloride.

Molecular Properties

Compound Name(1-hydroxy-1-phenylbutan-2-yl)azanium chloride
PubChem CID22553
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name(1-hydroxy-1-phenylbutan-2-yl)azanium chloride
SMILESCCC([NH3+])C(O)c1ccccc1.[Cl-]
InChIInChI=1S/C10H15NO.ClH/c1-2-9(11)10(12)8-6-4-3-5-7-8;/h3-7,9-10,12H,2,11H2,1H3;1H
InChIKeyFZGAXGPIOLWEAX-UHFFFAOYSA-N
XLogP-2.26
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 ≤ 5-2.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-1-phenylbutan-2-yl)azanium chloride?
The IUPAC name of (1-hydroxy-1-phenylbutan-2-yl)azanium chloride (CID 22553) is (1-hydroxy-1-phenylbutan-2-yl)azanium chloride.
What is the SMILES notation for (1-hydroxy-1-phenylbutan-2-yl)azanium chloride?
The canonical SMILES for (1-hydroxy-1-phenylbutan-2-yl)azanium chloride is CCC([NH3+])C(O)c1ccccc1.[Cl-].
What is the InChIKey of (1-hydroxy-1-phenylbutan-2-yl)azanium chloride?
The InChIKey is FZGAXGPIOLWEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-2-9(11)10(12)8-6-4-3-5-7-8;/h3-7,9-10,12H,2,11H2,1H3;1H.
What are the key properties of (1-hydroxy-1-phenylbutan-2-yl)azanium chloride?
(1-hydroxy-1-phenylbutan-2-yl)azanium chloride has a molecular weight of 201.70 g/mol, XLogP of -2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-1-phenylbutan-2-yl)azanium chloride is sourced from PubChem (CID 22553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).