1-(iodoamino)-3-phenoxypropan-2-ol

C9H12INO2 — CID 89357647

IUPAC1-(iodoamino)-3-phenoxypropan-2-ol
SMILESOC(CNI)COc1ccccc1
InChIInChI=1S/C9H12INO2/c10-11-6-8(12)7-13-9-4-2-1-3-5-9/h1-5,8,11-12H,6-7H2
InChIKeyKSQXPMAPXIROFM-UHFFFAOYSA-N
MW293.10 g/mol
LogP1.37
Rot. Bonds5

About 1-(iodoamino)-3-phenoxypropan-2-ol

1-(iodoamino)-3-phenoxypropan-2-ol (PubChem CID 89357647) has the molecular formula C9H12INO2 and a molecular weight of 293.10 g/mol. Its IUPAC name is 1-(iodoamino)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(iodoamino)-3-phenoxypropan-2-ol
PubChem CID89357647
Molecular FormulaC9H12INO2
Molecular Weight293.10 g/mol
Exact Mass292.99
IUPAC Name1-(iodoamino)-3-phenoxypropan-2-ol
SMILESOC(CNI)COc1ccccc1
InChIInChI=1S/C9H12INO2/c10-11-6-8(12)7-13-9-4-2-1-3-5-9/h1-5,8,11-12H,6-7H2
InChIKeyKSQXPMAPXIROFM-UHFFFAOYSA-N
XLogP1.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
1-(4-benzylphenoxy)-3-(methylamino)propan-2-ol
CID 62274722
(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328
1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol
CID 113253719
actinium;3-phenoxypropane-1,2-diol
CID 22981458
2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide
CID 54950769

Frequently Asked Questions

What is the IUPAC name of 1-(iodoamino)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(iodoamino)-3-phenoxypropan-2-ol (CID 89357647) is 1-(iodoamino)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(iodoamino)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(iodoamino)-3-phenoxypropan-2-ol is OC(CNI)COc1ccccc1.
What is the InChIKey of 1-(iodoamino)-3-phenoxypropan-2-ol?
The InChIKey is KSQXPMAPXIROFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO2/c10-11-6-8(12)7-13-9-4-2-1-3-5-9/h1-5,8,11-12H,6-7H2.
What are the key properties of 1-(iodoamino)-3-phenoxypropan-2-ol?
1-(iodoamino)-3-phenoxypropan-2-ol has a molecular weight of 293.10 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodoamino)-3-phenoxypropan-2-ol is sourced from PubChem (CID 89357647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).