1-amino-2-phenylbutan-2-ol

C10H15NO — CID 17831

IUPAC1-amino-2-phenylbutan-2-ol
SMILESCCC(O)(CN)c1ccccc1
InChIInChI=1S/C10H15NO/c1-2-10(12,8-11)9-6-4-3-5-7-9/h3-7,12H,2,8,11H2,1H3
InChIKeyULFJMPCWXPSJQL-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.24
Rot. Bonds3

About 1-amino-2-phenylbutan-2-ol

1-amino-2-phenylbutan-2-ol (PubChem CID 17831) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-amino-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-amino-2-phenylbutan-2-ol
PubChem CID17831
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-amino-2-phenylbutan-2-ol
SMILESCCC(O)(CN)c1ccccc1
InChIInChI=1S/C10H15NO/c1-2-10(12,8-11)9-6-4-3-5-7-9/h3-7,12H,2,8,11H2,1H3
InChIKeyULFJMPCWXPSJQL-UHFFFAOYSA-N
XLogP1.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-phenylbutan-2-ol?
The IUPAC name of 1-amino-2-phenylbutan-2-ol (CID 17831) is 1-amino-2-phenylbutan-2-ol.
What is the SMILES notation for 1-amino-2-phenylbutan-2-ol?
The canonical SMILES for 1-amino-2-phenylbutan-2-ol is CCC(O)(CN)c1ccccc1.
What is the InChIKey of 1-amino-2-phenylbutan-2-ol?
The InChIKey is ULFJMPCWXPSJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-10(12,8-11)9-6-4-3-5-7-9/h3-7,12H,2,8,11H2,1H3.
What are the key properties of 1-amino-2-phenylbutan-2-ol?
1-amino-2-phenylbutan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-phenylbutan-2-ol is sourced from PubChem (CID 17831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).