4-amino-2-phenylbutan-2-ol

C10H15NO — CID 24975101

IUPAC4-amino-2-phenylbutan-2-ol
SMILESCC(O)(CCN)c1ccccc1
InChIInChI=1S/C10H15NO/c1-10(12,7-8-11)9-5-3-2-4-6-9/h2-6,12H,7-8,11H2,1H3
InChIKeySYNOUHHTBQKYFU-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.24
Rot. Bonds3

About 4-amino-2-phenylbutan-2-ol

4-amino-2-phenylbutan-2-ol (PubChem CID 24975101) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-amino-2-phenylbutan-2-ol.

Molecular Properties

Compound Name4-amino-2-phenylbutan-2-ol
PubChem CID24975101
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-amino-2-phenylbutan-2-ol
SMILESCC(O)(CCN)c1ccccc1
InChIInChI=1S/C10H15NO/c1-10(12,7-8-11)9-5-3-2-4-6-9/h2-6,12H,7-8,11H2,1H3
InChIKeySYNOUHHTBQKYFU-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

Analyze 4-amino-2-phenylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenylbutan-2-ol?
The IUPAC name of 4-amino-2-phenylbutan-2-ol (CID 24975101) is 4-amino-2-phenylbutan-2-ol.
What is the SMILES notation for 4-amino-2-phenylbutan-2-ol?
The canonical SMILES for 4-amino-2-phenylbutan-2-ol is CC(O)(CCN)c1ccccc1.
What is the InChIKey of 4-amino-2-phenylbutan-2-ol?
The InChIKey is SYNOUHHTBQKYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(12,7-8-11)9-5-3-2-4-6-9/h2-6,12H,7-8,11H2,1H3.
What are the key properties of 4-amino-2-phenylbutan-2-ol?
4-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 4-amino-2-phenylbutan-2-ol is sourced from PubChem (CID 24975101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).