2-Amino-1-phenylpentan-1-ol--hydrogen chloride (1/1)

C11H18ClNO — CID 46406

IUPAC(1-hydroxy-1-phenylpentan-2-yl)azanium chloride
SMILESCCCC(C(C1=CC=CC=C1)O)[NH3+].[Cl-]
InChIInChI=1S/C11H17NO.ClH/c1-2-6-10(12)11(13)9-7-4-3-5-8-9;/h3-5,7-8,10-11,13H,2,6,12H2,1H3;1H
InChIKeyIIOOMPVSYKQIRA-UHFFFAOYSA-N
MW215.72 g/mol
LogP—
Rot. Bonds4

About 2-Amino-1-phenylpentan-1-ol--hydrogen chloride (1/1)

2-Amino-1-phenylpentan-1-ol--hydrogen chloride (1/1) (PubChem CID 46406) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is (1-hydroxy-1-phenylpentan-2-yl)azanium chloride.

Molecular Properties

Compound Name2-Amino-1-phenylpentan-1-ol--hydrogen chloride (1/1)
PubChem CID46406
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name(1-hydroxy-1-phenylpentan-2-yl)azanium chloride
SMILESCCCC(C(C1=CC=CC=C1)O)[NH3+].[Cl-]
InChIInChI=1S/C11H17NO.ClH/c1-2-6-10(12)11(13)9-7-4-3-5-8-9;/h3-5,7-8,10-11,13H,2,6,12H2,1H3;1H
InChIKeyIIOOMPVSYKQIRA-UHFFFAOYSA-N
XLogP—
TPSA47.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity132

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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DL-Ephedrine
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Frequently Asked Questions

What is the IUPAC name of 2-Amino-1-phenylpentan-1-ol--hydrogen chloride (1/1)?
The IUPAC name of 2-Amino-1-phenylpentan-1-ol--hydrogen chloride (1/1) (CID 46406) is (1-hydroxy-1-phenylpentan-2-yl)azanium chloride.
What is the SMILES notation for 2-Amino-1-phenylpentan-1-ol--hydrogen chloride (1/1)?
The canonical SMILES for 2-Amino-1-phenylpentan-1-ol--hydrogen chloride (1/1) is CCCC(C(C1=CC=CC=C1)O)[NH3+].[Cl-].
What is the InChIKey of 2-Amino-1-phenylpentan-1-ol--hydrogen chloride (1/1)?
The InChIKey is IIOOMPVSYKQIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-2-6-10(12)11(13)9-7-4-3-5-8-9;/h3-5,7-8,10-11,13H,2,6,12H2,1H3;1H.
What are the key properties of 2-Amino-1-phenylpentan-1-ol--hydrogen chloride (1/1)?
2-Amino-1-phenylpentan-1-ol--hydrogen chloride (1/1) has a molecular weight of 215.72 g/mol, XLogP of not available, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Amino-1-phenylpentan-1-ol--hydrogen chloride (1/1) is sourced from PubChem (CID 46406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).