(2R)-2-anilinooxypropan-1-ol

C9H13NO2 — CID 11252218

IUPAC(2R)-2-anilinooxypropan-1-ol
SMILESC[C@H](CO)ONc1ccccc1
InChIInChI=1S/C9H13NO2/c1-8(7-11)12-10-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m1/s1
InChIKeyLFIGVWCABSLPQY-MRVPVSSYSA-N
MW167.21 g/mol
LogP1.41
Rot. Bonds4

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

(2R)-2-anilinooxypropan-1-ol (PubChem CID 11252218) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (2R)-2-anilinooxypropan-1-ol.

Molecular Properties

Compound Name(2R)-2-anilinooxypropan-1-ol
PubChem CID11252218
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(2R)-2-anilinooxypropan-1-ol
SMILESC[C@H](CO)ONc1ccccc1
InChIInChI=1S/C9H13NO2/c1-8(7-11)12-10-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m1/s1
InChIKeyLFIGVWCABSLPQY-MRVPVSSYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-anilinooxypropan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-anilinooxy-3-methylbutan-1-ol
CID 11480999
anilinooxy(methoxy)methanol
CID 174983355
benzene;N-methoxyaniline
CID 159505017
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
(2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol
CID 24754584
(2S)-2-(4-phenylphenoxy)propan-1-ol
CID 57166864
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
anilino propan-2-yl carbonate
CID 167181374
4-N-methoxy-1-N-phenylbenzene-1,4-diamine
CID 23137119
acetic acid;N-methoxyaniline
CID 174899473
1-(2-methoxypropyl)-3-phenylthiourea
CID 102697388
2-anilino-N-(2-ethoxypropyl)acetamide
CID 115739451

Frequently Asked Questions

What is the IUPAC name of (2R)-2-anilinooxypropan-1-ol?
The IUPAC name of (2R)-2-anilinooxypropan-1-ol (CID 11252218) is (2R)-2-anilinooxypropan-1-ol.
What is the SMILES notation for (2R)-2-anilinooxypropan-1-ol?
The canonical SMILES for (2R)-2-anilinooxypropan-1-ol is C[C@H](CO)ONc1ccccc1.
What is the InChIKey of (2R)-2-anilinooxypropan-1-ol?
The InChIKey is LFIGVWCABSLPQY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-8(7-11)12-10-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-anilinooxypropan-1-ol?
(2R)-2-anilinooxypropan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilinooxypropan-1-ol is sourced from PubChem (CID 11252218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).