3-amino-1-phenylbutan-2-ol;hydrochloride

C10H16ClNO — CID 71756864

IUPAC3-amino-1-phenylbutan-2-ol;hydrochloride
SMILESCC(N)C(O)Cc1ccccc1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8(11)10(12)7-9-5-3-2-4-6-9;/h2-6,8,10,12H,7,11H2,1H3;1H
InChIKeySKUFAOIKZAHRME-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.36
Rot. Bonds3

About 3-amino-1-phenylbutan-2-ol;hydrochloride

3-amino-1-phenylbutan-2-ol;hydrochloride (PubChem CID 71756864) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 3-amino-1-phenylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-1-phenylbutan-2-ol;hydrochloride
PubChem CID71756864
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name3-amino-1-phenylbutan-2-ol;hydrochloride
SMILESCC(N)C(O)Cc1ccccc1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8(11)10(12)7-9-5-3-2-4-6-9;/h2-6,8,10,12H,7,11H2,1H3;1H
InChIKeySKUFAOIKZAHRME-UHFFFAOYSA-N
XLogP1.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-phenylbutan-2-ol;hydrochloride?
The IUPAC name of 3-amino-1-phenylbutan-2-ol;hydrochloride (CID 71756864) is 3-amino-1-phenylbutan-2-ol;hydrochloride.
What is the SMILES notation for 3-amino-1-phenylbutan-2-ol;hydrochloride?
The canonical SMILES for 3-amino-1-phenylbutan-2-ol;hydrochloride is CC(N)C(O)Cc1ccccc1.Cl.
What is the InChIKey of 3-amino-1-phenylbutan-2-ol;hydrochloride?
The InChIKey is SKUFAOIKZAHRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-8(11)10(12)7-9-5-3-2-4-6-9;/h2-6,8,10,12H,7,11H2,1H3;1H.
What are the key properties of 3-amino-1-phenylbutan-2-ol;hydrochloride?
3-amino-1-phenylbutan-2-ol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-phenylbutan-2-ol;hydrochloride is sourced from PubChem (CID 71756864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).