1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol

C15H16INO3 — CID 62268837

IUPAC1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
SMILESNc1ccccc1OCC(O)COc1ccccc1I
InChIInChI=1S/C15H16INO3/c16-12-5-1-3-7-14(12)19-9-11(18)10-20-15-8-4-2-6-13(15)17/h1-8,11,18H,9-10,17H2
InChIKeyDPGFSAXTSKLJHQ-UHFFFAOYSA-N
MW385.20 g/mol
LogP2.69
Rot. Bonds6

About 1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol

1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol (PubChem CID 62268837) has the molecular formula C15H16INO3 and a molecular weight of 385.20 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
PubChem CID62268837
Molecular FormulaC15H16INO3
Molecular Weight385.20 g/mol
Exact Mass385.02
IUPAC Name1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
SMILESNc1ccccc1OCC(O)COc1ccccc1I
InChIInChI=1S/C15H16INO3/c16-12-5-1-3-7-14(12)19-9-11(18)10-20-15-8-4-2-6-13(15)17/h1-8,11,18H,9-10,17H2
InChIKeyDPGFSAXTSKLJHQ-UHFFFAOYSA-N
XLogP2.69
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
1-bromo-3-(2-iodophenoxy)propan-2-ol
CID 112560670
1-(2-aminophenoxy)-3-(4-chlorophenoxy)propan-2-ol
CID 62267239
[2-hydroxy-3-(2-iodophenoxy)propyl] 2-methylprop-2-enoate
CID 171726363
1-(2-aminophenoxy)-3-(3-methylbutoxy)propan-2-ol
CID 62269721
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220
1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol
CID 62382373
1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol
CID 62269353
1-(2-aminophenoxy)-3-(3-fluorophenoxy)propan-2-ol
CID 62268649
1-(2-aminophenoxy)-3-pentoxypropan-2-ol
CID 62268656
1-(2-aminophenoxy)-3-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 62269183
1-(2-aminophenoxy)-3-hexoxypropan-2-ol
CID 62267422

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol (CID 62268837) is 1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol is Nc1ccccc1OCC(O)COc1ccccc1I.
What is the InChIKey of 1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol?
The InChIKey is DPGFSAXTSKLJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO3/c16-12-5-1-3-7-14(12)19-9-11(18)10-20-15-8-4-2-6-13(15)17/h1-8,11,18H,9-10,17H2.
What are the key properties of 1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol?
1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol has a molecular weight of 385.20 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol is sourced from PubChem (CID 62268837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).