(2R)-2-anilinooxy-3-methylbutan-1-ol

C11H17NO2 — CID 11480999

IUPAC(2R)-2-anilinooxy-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)ONc1ccccc1
InChIInChI=1S/C11H17NO2/c1-9(2)11(8-13)14-12-10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t11-/m0/s1
InChIKeyDKFDBDVVGNRBAX-NSHDSACASA-N
MW195.26 g/mol
LogP2.05
Rot. Bonds5

About (2R)-2-anilinooxy-3-methylbutan-1-ol

(2R)-2-anilinooxy-3-methylbutan-1-ol (PubChem CID 11480999) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2R)-2-anilinooxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-anilinooxy-3-methylbutan-1-ol
PubChem CID11480999
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2R)-2-anilinooxy-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)ONc1ccccc1
InChIInChI=1S/C11H17NO2/c1-9(2)11(8-13)14-12-10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t11-/m0/s1
InChIKeyDKFDBDVVGNRBAX-NSHDSACASA-N
XLogP2.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.05
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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Related Compounds

(2R)-2-anilinooxypropan-1-ol
CID 11252218
anilinooxy(methoxy)methanol
CID 174983355
benzene;N-methoxyaniline
CID 159505017
(2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol
CID 24754584
ethane;2-(2-methoxyphenoxy)-3-methylbutan-1-ol
CID 142544309
2-methylpropan-1-ol;phenol
CID 158335156
(4S,5R)-5-anilinooxypentadec-1-en-4-ol
CID 142705738
methyl benzoate;2-methylpropan-1-ol
CID 69407319
3-methyl-2-(phenoxymethyl)butan-1-ol
CID 15214280
isocyanic acid;N-methoxyaniline
CID 172774828
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
anilino propan-2-yl carbonate
CID 167181374

Frequently Asked Questions

What is the IUPAC name of (2R)-2-anilinooxy-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-anilinooxy-3-methylbutan-1-ol (CID 11480999) is (2R)-2-anilinooxy-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-anilinooxy-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-anilinooxy-3-methylbutan-1-ol is CC(C)[C@H](CO)ONc1ccccc1.
What is the InChIKey of (2R)-2-anilinooxy-3-methylbutan-1-ol?
The InChIKey is DKFDBDVVGNRBAX-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(2)11(8-13)14-12-10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t11-/m0/s1.
What are the key properties of (2R)-2-anilinooxy-3-methylbutan-1-ol?
(2R)-2-anilinooxy-3-methylbutan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilinooxy-3-methylbutan-1-ol is sourced from PubChem (CID 11480999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).