1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol

C12H18INO2 — CID 60902154

IUPAC1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNc1ccccc1I
InChIInChI=1S/C12H18INO2/c1-9(2)16-8-10(15)7-14-12-6-4-3-5-11(12)13/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKeyILJOAWCSRPETTK-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.49
Rot. Bonds6

About 1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol

1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol (PubChem CID 60902154) has the molecular formula C12H18INO2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol
PubChem CID60902154
Molecular FormulaC12H18INO2
Molecular Weight335.19 g/mol
Exact Mass335.04
IUPAC Name1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNc1ccccc1I
InChIInChI=1S/C12H18INO2/c1-9(2)16-8-10(15)7-14-12-6-4-3-5-11(12)13/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKeyILJOAWCSRPETTK-UHFFFAOYSA-N
XLogP2.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898998
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
1-(2-iodoanilino)-3-methylbutan-2-ol
CID 126975335
1-(4-ethylphenoxy)-3-(2-iodoanilino)propan-2-ol
CID 63487659
1-(2-iodoanilino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60901769
1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 113442189
1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897291
1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol
CID 60899958
1-(4-fluoro-2-iodoanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 79769591
1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60902275
1-(2-iodophenyl)-2-propan-2-yloxyethanol
CID 115821533
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol (CID 60902154) is 1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNc1ccccc1I.
What is the InChIKey of 1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol?
The InChIKey is ILJOAWCSRPETTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO2/c1-9(2)16-8-10(15)7-14-12-6-4-3-5-11(12)13/h3-6,9-10,14-15H,7-8H2,1-2H3.
What are the key properties of 1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol?
1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol has a molecular weight of 335.19 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60902154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).