1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol

C15H16INO3 — CID 62269697

IUPAC1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
SMILESNc1ccc(OCC(O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C15H16INO3/c16-11-1-5-14(6-2-11)19-9-13(18)10-20-15-7-3-12(17)4-8-15/h1-8,13,18H,9-10,17H2
InChIKeyDCRKEYBWHCRBII-UHFFFAOYSA-N
MW385.20 g/mol
LogP2.69
Rot. Bonds6

About 1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol

1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol (PubChem CID 62269697) has the molecular formula C15H16INO3 and a molecular weight of 385.20 g/mol. Its IUPAC name is 1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
PubChem CID62269697
Molecular FormulaC15H16INO3
Molecular Weight385.20 g/mol
Exact Mass385.02
IUPAC Name1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
SMILESNc1ccc(OCC(O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C15H16INO3/c16-11-1-5-14(6-2-11)19-9-13(18)10-20-15-7-3-12(17)4-8-15/h1-8,13,18H,9-10,17H2
InChIKeyDCRKEYBWHCRBII-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
1-(4-iodophenoxy)propan-2-ol
CID 65277775
1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol
CID 62264936
1-(4-aminophenoxy)-3-(3-methoxypropoxy)propan-2-ol
CID 62269701
1-(4-aminophenoxy)-3-(4-bromo-3-methylphenoxy)propan-2-ol
CID 83135640
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
3-(4-aminophenoxy)-2-hydroxypropanoic acid
CID 166746246
1-(4-aminophenoxy)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
CID 115941805
1-(4-aminophenoxy)-3-(2-cyclopropylethoxy)propan-2-ol
CID 114157270
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol?
The IUPAC name of 1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol (CID 62269697) is 1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol?
The canonical SMILES for 1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol is Nc1ccc(OCC(O)COc2ccc(I)cc2)cc1.
What is the InChIKey of 1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol?
The InChIKey is DCRKEYBWHCRBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO3/c16-11-1-5-14(6-2-11)19-9-13(18)10-20-15-7-3-12(17)4-8-15/h1-8,13,18H,9-10,17H2.
What are the key properties of 1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol?
1-(4-aminophenoxy)-3-(4-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-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol is sourced from PubChem (CID 62269697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).