(2R)-1-amino-4-phenylbutan-2-ol

C10H15NO — CID 22880873

IUPAC(2R)-1-amino-4-phenylbutan-2-ol
SMILESNC[C@H](O)CCc1ccccc1
InChIInChI=1S/C10H15NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/t10-/m1/s1
InChIKeyLUPIFLARJQGECT-SNVBAGLBSA-N
MW165.24 g/mol
LogP0.94
Rot. Bonds4

About (2R)-1-amino-4-phenylbutan-2-ol

(2R)-1-amino-4-phenylbutan-2-ol (PubChem CID 22880873) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2R)-1-amino-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-4-phenylbutan-2-ol
PubChem CID22880873
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2R)-1-amino-4-phenylbutan-2-ol
SMILESNC[C@H](O)CCc1ccccc1
InChIInChI=1S/C10H15NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/t10-/m1/s1
InChIKeyLUPIFLARJQGECT-SNVBAGLBSA-N
XLogP0.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-4-phenylbutan-2-ol?
The IUPAC name of (2R)-1-amino-4-phenylbutan-2-ol (CID 22880873) is (2R)-1-amino-4-phenylbutan-2-ol.
What is the SMILES notation for (2R)-1-amino-4-phenylbutan-2-ol?
The canonical SMILES for (2R)-1-amino-4-phenylbutan-2-ol is NC[C@H](O)CCc1ccccc1.
What is the InChIKey of (2R)-1-amino-4-phenylbutan-2-ol?
The InChIKey is LUPIFLARJQGECT-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/t10-/m1/s1.
What are the key properties of (2R)-1-amino-4-phenylbutan-2-ol?
(2R)-1-amino-4-phenylbutan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-4-phenylbutan-2-ol is sourced from PubChem (CID 22880873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).