(2R)-2-anilinooxybutan-1-ol

C10H15NO2 — CID 11816230

IUPAC(2R)-2-anilinooxybutan-1-ol
SMILESCC[C@H](CO)ONc1ccccc1
InChIInChI=1S/C10H15NO2/c1-2-10(8-12)13-11-9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3/t10-/m1/s1
InChIKeyROCBZGZOXFTOLB-SNVBAGLBSA-N
MW181.24 g/mol
LogP1.80
Rot. Bonds5

About (2R)-2-anilinooxybutan-1-ol

(2R)-2-anilinooxybutan-1-ol (PubChem CID 11816230) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is (2R)-2-anilinooxybutan-1-ol.

Molecular Properties

Compound Name(2R)-2-anilinooxybutan-1-ol
PubChem CID11816230
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name(2R)-2-anilinooxybutan-1-ol
SMILESCC[C@H](CO)ONc1ccccc1
InChIInChI=1S/C10H15NO2/c1-2-10(8-12)13-11-9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3/t10-/m1/s1
InChIKeyROCBZGZOXFTOLB-SNVBAGLBSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-anilinooxybutan-1-ol?
The IUPAC name of (2R)-2-anilinooxybutan-1-ol (CID 11816230) is (2R)-2-anilinooxybutan-1-ol.
What is the SMILES notation for (2R)-2-anilinooxybutan-1-ol?
The canonical SMILES for (2R)-2-anilinooxybutan-1-ol is CC[C@H](CO)ONc1ccccc1.
What is the InChIKey of (2R)-2-anilinooxybutan-1-ol?
The InChIKey is ROCBZGZOXFTOLB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-10(8-12)13-11-9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-anilinooxybutan-1-ol?
(2R)-2-anilinooxybutan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilinooxybutan-1-ol is sourced from PubChem (CID 11816230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).