2-amino-3-phenylbutan-2-ol

C10H15NO — CID 68615274

IUPAC2-amino-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(C)(N)O
InChIInChI=1S/C10H15NO/c1-8(10(2,11)12)9-6-4-3-5-7-9/h3-8,12H,11H2,1-2H3
InChIKeyHNGIZEJFLUDBQN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.46
Rot. Bonds2

About 2-amino-3-phenylbutan-2-ol

2-amino-3-phenylbutan-2-ol (PubChem CID 68615274) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-amino-3-phenylbutan-2-ol.

Molecular Properties

Compound Name2-amino-3-phenylbutan-2-ol
PubChem CID68615274
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-amino-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(C)(N)O
InChIInChI=1S/C10H15NO/c1-8(10(2,11)12)9-6-4-3-5-7-9/h3-8,12H,11H2,1-2H3
InChIKeyHNGIZEJFLUDBQN-UHFFFAOYSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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1,1-dimethoxy-2-phenylpropan-1-ol
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2,3-dimethyl-4-phenylpentane-1,3-diol
CID 141303157
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
2,3-dimethylbutane-2,3-diol;1-phenylethanol
CID 67631199
2,2-bis(1-phenylethyl)propanediamide
CID 118221756
2,2,3-triphenylbutane-1,1,1-triol
CID 19424795
[(2S)-2,3-diphenylbutan-2-yl]hydrazine
CID 118682088
[(2S)-3-methoxy-3-methylbutan-2-yl]benzene
CID 67208370
3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)
CID 20642617
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylbutan-2-ol?
The IUPAC name of 2-amino-3-phenylbutan-2-ol (CID 68615274) is 2-amino-3-phenylbutan-2-ol.
What is the SMILES notation for 2-amino-3-phenylbutan-2-ol?
The canonical SMILES for 2-amino-3-phenylbutan-2-ol is CC(c1ccccc1)C(C)(N)O.
What is the InChIKey of 2-amino-3-phenylbutan-2-ol?
The InChIKey is HNGIZEJFLUDBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(10(2,11)12)9-6-4-3-5-7-9/h3-8,12H,11H2,1-2H3.
What are the key properties of 2-amino-3-phenylbutan-2-ol?
2-amino-3-phenylbutan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylbutan-2-ol is sourced from PubChem (CID 68615274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).