1-(2-bromo-4-iodoanilino)propan-2-ol

C9H11BrINO — CID 126975658

IUPAC1-(2-bromo-4-iodoanilino)propan-2-ol
SMILESCC(O)CNc1ccc(I)cc1Br
InChIInChI=1S/C9H11BrINO/c1-6(13)5-12-9-3-2-7(11)4-8(9)10/h2-4,6,12-13H,5H2,1H3
InChIKeyUXNPSNRMMPFHKC-UHFFFAOYSA-N
MW356.00 g/mol
LogP2.85
Rot. Bonds3

About 1-(2-bromo-4-iodoanilino)propan-2-ol

1-(2-bromo-4-iodoanilino)propan-2-ol (PubChem CID 126975658) has the molecular formula C9H11BrINO and a molecular weight of 356.00 g/mol. Its IUPAC name is 1-(2-bromo-4-iodoanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-iodoanilino)propan-2-ol
PubChem CID126975658
Molecular FormulaC9H11BrINO
Molecular Weight356.00 g/mol
Exact Mass354.91
IUPAC Name1-(2-bromo-4-iodoanilino)propan-2-ol
SMILESCC(O)CNc1ccc(I)cc1Br
InChIInChI=1S/C9H11BrINO/c1-6(13)5-12-9-3-2-7(11)4-8(9)10/h2-4,6,12-13H,5H2,1H3
InChIKeyUXNPSNRMMPFHKC-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.00
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-iodoanilino)propan-2-ol
CID 130499138
1-(2-iodo-4-methylanilino)propan-2-ol
CID 101467766
(2S)-1-(3-bromo-4-iodoanilino)propan-2-ol
CID 130499916
(2R)-1-(2-bromo-5-chloroanilino)propan-2-ol
CID 106932356
1-(2-bromo-5-chloroanilino)propan-2-ol
CID 81281043
N-(2-bromo-4-iodophenyl)-2-(dimethylamino)acetamide
CID 130498541
2-bromo-N-but-3-en-2-yl-4-iodoaniline
CID 130499100
(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
CID 93345470
2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide
CID 113251331
2-bromo-N-(2-bromo-4-iodophenyl)butanamide
CID 130498554
(2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide
CID 114259905
[5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol
CID 114259104

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-iodoanilino)propan-2-ol?
The IUPAC name of 1-(2-bromo-4-iodoanilino)propan-2-ol (CID 126975658) is 1-(2-bromo-4-iodoanilino)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-iodoanilino)propan-2-ol?
The canonical SMILES for 1-(2-bromo-4-iodoanilino)propan-2-ol is CC(O)CNc1ccc(I)cc1Br.
What is the InChIKey of 1-(2-bromo-4-iodoanilino)propan-2-ol?
The InChIKey is UXNPSNRMMPFHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrINO/c1-6(13)5-12-9-3-2-7(11)4-8(9)10/h2-4,6,12-13H,5H2,1H3.
What are the key properties of 1-(2-bromo-4-iodoanilino)propan-2-ol?
1-(2-bromo-4-iodoanilino)propan-2-ol has a molecular weight of 356.00 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-iodoanilino)propan-2-ol is sourced from PubChem (CID 126975658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).